data_5iir_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 5iir _Structure_validation_residue.Date_analyzed 2017-03-10 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 full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 CA-C-O 119.901 -0.388 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p 37.79 -89.72 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -47.52 -47.38 27.81 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.111 0.564 . . . . 0.0 112.48 -173.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.27 -16.26 61.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -173.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.3 -39.16 8.56 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.2 mm? -68.18 -48.6 64.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.154 175.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.93 -35.83 81.97 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.156 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.33 -30.65 71.69 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.007 175.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -71.45 -43.42 66.7 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 6' ' ' LEU . 8.0 t -62.13 -50.58 79.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.329 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -63.87 -29.46 70.65 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.345 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.15 -39.06 75.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.8 mt -68.77 -30.85 69.53 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.94 -27.39 68.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.954 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 18' ' ' TYR . 20.7 m -75.92 -44.71 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.597 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.64 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -73.63 -32.18 63.91 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.16 175.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -56.45 -38.88 72.26 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 170.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 15' ' ' SER . 87.9 t80 -63.03 -46.66 86.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.222 174.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -65.19 -50.16 66.99 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.041 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 21.5 mt -56.65 -54.6 44.16 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.002 0.43 . . . . 0.0 110.151 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -41.6 85.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.751 -177.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.9 -40.18 94.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.311 . . . . 0.0 110.675 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -64.55 -41.61 96.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.959 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 20' ' ' LEU . 57.5 t -59.15 -46.31 92.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.217 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.09 91.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.346 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -65.31 -49.5 69.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.531 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.1 mp -61.57 -42.5 98.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.149 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -73.0 -9.67 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.021 -176.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -76.73 -38.0 55.05 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 172.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.41 -34.16 48.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.978 176.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.415 ' O ' HG12 ' A' ' 31' ' ' VAL . 15.6 t -91.97 32.2 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 122.412 1.101 . . . . 0.0 108.38 171.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.25 -55.84 0.06 OUTLIER Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.715 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.987 178.532 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 CA-C-O 119.957 -0.357 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.7 p 37.84 -89.55 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.933 1.293 . . . . 0.0 114.271 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' B' ' 7' ' ' GLU . 0.1 OUTLIER -47.56 -47.4 28.33 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.096 0.558 . . . . 0.0 112.483 -173.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.29 -16.17 61.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -173.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.33 -39.37 8.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -177.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.665 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.2 mm? -68.09 -48.51 65.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.194 175.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 3' ' ' MET . 0.9 OUTLIER -64.02 -35.76 81.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.109 178.27 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -30.23 71.26 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.974 175.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -71.9 -43.3 65.6 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 6' ' ' LEU . 7.7 t -62.23 -50.33 80.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.333 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -64.05 -29.5 70.64 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.385 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.09 -39.22 75.7 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.6 mt -68.57 -30.99 69.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.76 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.05 -27.02 68.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.031 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' B' ' 18' ' ' TYR . 24.8 m -76.26 -44.66 36.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.551 -178.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.642 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.2 OUTLIER -73.6 -32.4 64.08 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.148 175.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -56.18 -39.13 71.89 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 170.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' B' ' 15' ' ' SER . 87.8 t80 -62.92 -46.61 86.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.182 175.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -65.18 -50.2 66.85 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.999 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 21.3 mt -56.65 -54.89 40.87 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.02 0.438 . . . . 0.0 110.186 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.28 -41.28 83.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.787 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.06 -39.85 93.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.634 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.13 -41.42 94.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.857 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.587 HG21 ' O ' ' B' ' 20' ' ' LEU . 57.8 t -59.14 -46.27 92.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.301 176.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.49 91.34 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.229 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -65.22 -49.22 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.626 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.1 mp -61.72 -42.63 99.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.109 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' B' ' 28' ' ' LYS . 20.6 tptp -72.8 -9.72 58.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.786 0.326 . . . . 0.0 110.939 -176.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -76.71 -38.08 54.97 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 172.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.46 -34.15 47.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.103 176.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.419 ' O ' HG12 ' B' ' 31' ' ' VAL . 15.2 t -91.87 32.34 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 122.259 1.028 . . . . 0.0 108.329 171.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.46 -55.27 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.781 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.176 178.477 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 111.797 -0.521 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -110.05 -65.4 1.16 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.781 0.324 . . . . 0.0 111.073 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.0 mmm -49.09 -60.15 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.457 -172.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -68.84 -18.83 64.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -171.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 24.9 mt-30 -95.26 -43.92 7.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -175.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 10' ' ' VAL . 3.4 mm? -68.15 -46.14 71.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.455 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.48 -34.59 77.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.39 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.11 -32.25 73.58 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.822 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 96.7 mttt -72.57 -44.69 61.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.472 177.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 6' ' ' LEU . 5.8 t -55.28 -55.08 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.122 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.73 -24.05 64.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.449 -175.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.66 -43.32 66.26 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 50.9 mt -66.27 -33.59 76.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.94 -30.27 70.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.548 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.4 m -69.61 -47.82 62.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.799 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.709 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 15.5 pttm -77.99 -32.51 51.26 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.337 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' ND2' ' HB3' ' B' ' 13' ' ' LEU . 3.5 m-20 -50.37 -46.76 56.2 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 171.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -58.63 -42.09 87.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.743 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -75.52 -40.49 56.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.785 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 12.4 mt -62.94 -45.68 91.32 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.51 -46.8 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.405 176.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -71.93 -36.42 69.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.718 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.37 -47.91 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.696 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.525 HG21 ' O ' ' A' ' 20' ' ' LEU . 61.6 t -59.71 -47.5 90.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.919 0.39 . . . . 0.0 110.437 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.07 81.02 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.524 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -69.71 -48.52 59.26 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.543 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.3 mp -60.43 -37.93 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -44.73 78.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.441 -178.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -80.29 -18.51 49.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.776 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.3 mt -82.07 -31.74 30.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.4 t -72.62 -28.55 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 170.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.69 29.97 8.86 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.48 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.0 -178.717 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -110.19 -65.27 1.17 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.732 0.301 . . . . 0.0 111.114 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 94.9 mmm -49.14 -60.03 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.587 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -69.05 -18.46 64.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.495 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 24.9 mt-30 -95.62 -43.68 7.82 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -175.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.638 ' O ' HG23 ' B' ' 10' ' ' VAL . 3.4 mm? -68.18 -46.47 70.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.402 176.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.08 -34.87 77.11 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.42 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.15 -31.79 73.02 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.865 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 96.7 mttt -73.02 -45.06 59.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.25 176.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 6' ' ' LEU . 5.7 t -54.9 -55.12 17.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-O 121.236 0.541 . . . . 0.0 110.2 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.57 -24.2 64.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.509 -176.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -71.2 -44.24 65.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.479 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 50.9 mt -65.5 -33.85 76.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.479 174.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 tp -60.64 -30.12 69.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.497 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.1 m -70.11 -47.38 62.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.766 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.702 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 15.5 pttm -78.15 -32.64 50.4 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.299 176.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 13' ' ' LEU . 3.6 m-20 -50.39 -46.73 56.38 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.287 0.565 . . . . 0.0 109.694 171.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -58.54 -42.41 87.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.672 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -75.44 -39.96 58.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.903 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 12.5 mt -63.23 -45.86 89.67 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 177.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -51.33 -47.35 62.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.35 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -71.42 -36.27 71.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.756 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.46 -47.93 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.715 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.517 HG21 ' O ' ' B' ' 20' ' ' LEU . 61.6 t -59.78 -47.65 90.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.452 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.86 80.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.612 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -69.8 -48.2 60.03 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.2 mp -60.68 -37.82 82.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.038 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -44.79 78.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.617 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -80.55 -17.86 50.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.778 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 67.4 mt -82.69 -31.42 28.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.75 -28.82 28.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 170.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.66 30.09 8.79 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.48 175.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.816 -0.612 . . . . 0.0 110.094 -178.703 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.805 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -113.45 12.34 18.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.067 0.461 . . . . 0.0 111.137 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -38.53 87.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.275 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 68.6 mttm -75.18 -4.96 41.87 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.507 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -97.84 -41.58 7.97 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -57.27 -57.79 11.06 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 168.218 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.47 -34.32 68.9 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.507 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -77.22 -49.14 15.78 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 119.966 -0.694 . . . . 0.0 112.1 -177.748 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -73.99 -38.4 64.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.251 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 6' ' ' LEU . 43.8 t -65.43 -51.18 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.094 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -67.77 -16.82 64.3 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.706 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.02 -44.58 84.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt -71.97 -28.5 63.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.145 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 15.4 tp -64.23 -28.74 69.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.397 0.618 . . . . 0.0 110.244 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t -67.14 -47.97 69.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.526 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.757 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 21.1 ptmt -74.61 -25.96 59.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.299 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.514 ' ND2' ' HG3' ' B' ' 16' ' ' LYS . 8.9 m120 -54.22 -47.58 72.0 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 168.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -62.23 -44.13 97.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.431 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 9.8 m-70 -62.12 -52.87 62.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.527 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 21.4 mt -59.76 -45.49 92.07 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.73 -43.31 72.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.151 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -65.23 -40.81 94.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.334 . . . . 0.0 110.3 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 33.6 mm-40 -63.39 -47.4 82.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.735 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 20' ' ' LEU . 40.0 t -62.11 -44.55 99.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.312 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.21 86.72 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.214 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -59.48 -50.1 75.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.372 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.6 mp -63.36 -35.14 79.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.581 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.21 -38.12 79.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.591 0.234 . . . . 0.0 111.407 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.07 -27.02 61.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.266 0.555 . . . . 0.0 110.262 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.9 mt -85.38 -32.83 22.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.957 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -78.2 -28.5 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 171.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.32 -63.18 4.1 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.645 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.818 -177.726 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.9 p -114.03 12.39 17.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.983 0.42 . . . . 0.0 111.117 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -38.46 87.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.276 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 68.5 mttm -75.3 -4.85 41.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.547 177.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -97.76 -41.71 7.95 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.542 ' O ' HG22 ' B' ' 10' ' ' VAL . 0.1 OUTLIER -57.22 -57.67 11.6 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 168.384 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -57.24 -34.72 68.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.488 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' B' ' 4' ' ' LYS . 0.2 OUTLIER -77.22 -49.12 15.8 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.101 -0.64 . . . . 0.0 112.207 -177.592 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -74.0 -38.37 64.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.163 -0.215 . . . . 0.0 111.255 -173.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.542 HG22 ' O ' ' B' ' 6' ' ' LEU . 43.2 t -65.41 -50.78 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.001 0.429 . . . . 0.0 110.212 179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.06 -17.16 64.31 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.741 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -65.51 -44.73 86.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.96 -28.49 63.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.201 174.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.422 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 15.4 tp -64.33 -28.61 69.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.497 0.665 . . . . 0.0 110.192 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t -67.37 -47.74 69.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.585 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.757 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 21.4 ptmt -74.83 -25.74 59.21 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.253 176.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.492 ' ND2' ' HG3' ' A' ' 16' ' ' LYS . 8.6 m120 -54.58 -47.19 73.62 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 168.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.46 -44.37 96.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.366 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.556 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 10.0 m-70 -61.79 -53.08 60.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.568 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 21.4 mt -59.57 -45.42 91.91 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -54.75 -43.32 72.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.192 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.21 -40.64 94.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.9 0.381 . . . . 0.0 110.437 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 32.7 mm-40 -63.61 -47.17 82.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.689 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.593 HG22 ' O ' ' B' ' 20' ' ' LEU . 40.2 t -62.49 -44.4 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.244 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.2 86.86 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.273 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -59.11 -50.27 74.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.343 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.6 mp -63.38 -35.31 79.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.608 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -59.29 -37.63 78.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.617 0.246 . . . . 0.0 111.491 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.58 -26.73 60.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.273 0.559 . . . . 0.0 110.33 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -85.67 -32.47 21.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.951 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.45 -28.51 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 171.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.41 -63.15 4.1 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.701 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.909 -177.884 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 p -53.82 -41.07 66.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.514 ' HA ' ' CD1' ' B' ' 6' ' ' LEU . 84.3 mtp -55.24 -48.17 74.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -172.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -88.71 -23.17 23.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.729 0.299 . . . . 0.0 111.71 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.553 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 55.6 mt-30 -88.68 -40.0 13.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.518 -173.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' O ' HG21 ' A' ' 10' ' ' VAL . 33.6 mt -73.49 -38.45 65.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 175.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.22 -38.41 86.52 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.859 172.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -33.3 74.1 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.222 175.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 45.9 mmtm -67.15 -43.75 81.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.601 0.238 . . . . 0.0 110.461 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.559 HG21 ' O ' ' A' ' 6' ' ' LEU . 3.0 t -58.54 -46.72 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.88 -27.63 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.134 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -42.81 73.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.4 -32.63 72.82 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.829 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.26 -26.18 68.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.091 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -73.39 -48.49 33.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.549 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HE2' ' CG ' ' B' ' 17' ' ' ASN . 14.6 pttm -74.76 -36.45 62.58 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.817 177.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.432 ' CG ' ' HE2' ' B' ' 16' ' ' LYS . 4.0 m-20 -52.77 -40.18 62.92 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 172.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.94 -52.31 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -70.83 -44.25 66.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.533 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.673 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 7.1 tp -65.2 -34.42 78.34 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 123.465 0.706 . . . . 0.0 111.693 -177.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -66.61 -36.01 81.56 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 121.848 -0.532 . . . . 0.0 110.245 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.423 ' N ' HD21 ' A' ' 22' ' ' ASN . 0.9 OUTLIER -74.33 -30.64 62.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.186 177.263 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.69 -46.5 87.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.522 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.28 -42.95 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.1 176.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.1 83.12 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.549 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 75.1 mtp180 -61.13 -51.9 67.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.233 178.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.9 mp -57.98 -38.0 75.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.471 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -61.78 -26.62 68.2 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.412 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -78.0 -35.36 50.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.129 0.49 . . . . 0.0 110.591 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.5 -43.58 66.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.206 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -73.41 -26.69 22.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.465 0.65 . . . . 0.0 109.403 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.99 -29.3 70.82 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 114.912 -1.04 . . . . 0.0 113.19 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 122.883 0.473 . . . . 0.0 110.375 -179.399 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.7 p -54.97 -41.08 70.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.532 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 84.2 mtp -55.01 -48.15 73.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -172.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -88.59 -23.46 23.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.696 0.284 . . . . 0.0 111.712 -176.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.554 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 55.5 mt-30 -88.68 -39.78 13.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.48 -172.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.563 ' O ' HG21 ' B' ' 10' ' ' VAL . 33.2 mt -73.79 -38.24 64.69 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.33 -38.38 86.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.845 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -32.95 73.73 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.272 175.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 45.9 mmtm -67.32 -43.75 80.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 178.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.563 HG21 ' O ' ' B' ' 6' ' ' LEU . 3.0 t -58.58 -46.62 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -64.76 -27.94 69.24 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.163 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.54 -42.91 73.99 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.37 -32.59 72.78 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 tp -63.25 -26.37 68.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.114 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.8 t -73.18 -48.91 31.28 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.475 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.432 ' HE2' ' CG ' ' A' ' 17' ' ' ASN . 14.4 pttm -74.36 -36.57 63.59 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 119.323 -0.951 . . . . 0.0 109.908 177.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.427 ' CG ' ' HE2' ' A' ' 16' ' ' LYS . 4.1 m-20 -52.69 -39.87 62.39 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 172.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -59.26 -52.65 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.469 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -70.53 -43.97 68.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.633 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.673 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 7.1 tp -65.4 -34.55 78.57 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.33 0.652 . . . . 0.0 111.585 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.33 -36.18 82.25 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.849 -0.532 . . . . 0.0 110.258 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.436 ' N ' HD21 ' B' ' 22' ' ' ASN . 0.9 OUTLIER -74.15 -30.76 62.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.09 177.455 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.7 -46.21 89.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.63 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -61.33 -42.69 94.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 0.0 110.156 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.24 -45.48 83.9 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.433 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' B' ' 22' ' ' ASN . 74.9 mtp180 -60.64 -52.03 66.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.019 0.438 . . . . 0.0 110.3 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.9 mp -58.13 -38.08 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.338 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -61.67 -26.45 68.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.498 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -77.97 -35.84 49.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.119 0.485 . . . . 0.0 110.526 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mp -70.92 -43.59 67.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.32 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -73.72 -26.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.675 0.75 . . . . 0.0 109.376 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.7 -29.5 69.48 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 114.851 -1.068 . . . . 0.0 113.01 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 119.231 -0.414 . . . . 0.0 110.186 -179.269 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -114.21 -32.02 6.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.409 0.147 . . . . 0.0 111.331 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.9 mmm -54.02 -54.71 35.48 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -71.76 -10.93 60.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.781 0.324 . . . . 0.0 111.687 -175.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -96.37 -39.29 9.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -176.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.616 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.3 mm? -69.2 -45.37 70.07 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.025 172.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.32 -32.24 72.11 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.933 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.14 -39.83 87.69 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.699 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -72.78 -38.88 67.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.025 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 6' ' ' LEU . 6.3 t -61.86 -50.04 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.031 0.443 . . . . 0.0 109.875 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.18 -20.64 64.0 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.065 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.99 -48.45 65.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 63.6 mt -69.16 -28.58 66.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.829 175.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 tp -62.54 -32.22 73.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.439 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -71.41 -50.57 30.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.252 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.662 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -68.05 -31.49 71.18 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.254 176.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 4.7 m-20 -56.91 -41.25 77.8 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 171.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.47 -44.18 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.124 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -64.26 -51.95 61.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.554 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 18.9 mt -57.1 -53.83 53.59 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 120.855 0.359 . . . . 0.0 110.095 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.5 OUTLIER -54.54 -44.43 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.132 -177.493 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.4 -35.75 73.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 178.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' OE2' HG12 ' B' ' 24' ' ' VAL . 37.4 tt0 -68.4 -37.53 80.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.21 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 20' ' ' LEU . 91.6 t -59.13 -49.71 82.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.316 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.07 76.14 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.332 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -65.59 -53.4 42.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.57 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.628 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 2.1 mp -61.3 -42.21 98.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -70.51 -11.8 61.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.677 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -78.29 -34.72 48.65 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -80.86 -36.2 31.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.355 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.0 t -77.52 -16.11 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.717 0.77 . . . . 0.0 109.401 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.17 -69.5 1.36 Allowed Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.824 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.248 0.995 0 C-N-CA 122.869 0.468 . . . . 0.0 110.619 -179.294 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.991 -0.443 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.5 p -113.73 -31.93 6.3 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.833 -0.216 . . . . 0.0 111.351 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 95.9 mmm -54.22 -54.62 37.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -71.68 -11.19 60.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.758 0.313 . . . . 0.0 111.561 -175.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -96.02 -39.32 9.81 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -176.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.62 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.3 mm? -69.41 -45.33 69.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.014 172.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -61.38 -32.13 72.04 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.966 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.34 -39.79 88.34 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.706 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -72.73 -38.88 67.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.027 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 6' ' ' LEU . 6.1 t -61.67 -50.13 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.021 0.439 . . . . 0.0 109.941 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.404 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 42.5 mt-10 -69.22 -20.74 63.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.168 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.68 -48.51 66.39 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.456 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 64.0 mt -69.14 -28.7 66.68 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.945 175.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.404 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 18.8 tp -62.24 -32.76 73.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.487 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t -71.13 -50.22 35.86 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.407 -177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.669 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -68.21 -31.43 70.94 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.313 176.595 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.505 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 4.8 m-20 -56.68 -41.83 77.99 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 171.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.04 -44.18 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.087 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -64.27 -52.1 60.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.482 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 18.5 mt -56.86 -53.92 52.41 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 120.867 0.365 . . . . 0.0 110.058 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 0.4 OUTLIER -54.48 -44.41 72.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.087 -177.488 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -70.48 -35.74 73.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.881 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.49 -37.48 80.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.172 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 20' ' ' LEU . 89.2 t -59.25 -49.8 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.272 175.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.93 75.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.369 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -65.7 -53.21 44.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.598 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.628 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 2.1 mp -61.39 -42.11 98.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -70.36 -12.31 61.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.669 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -78.02 -34.88 50.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 175.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -80.7 -36.05 32.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.369 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.85 -15.78 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.688 0.756 . . . . 0.0 109.374 173.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.55 -69.54 1.35 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.839 -176.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.749 -179.351 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p -125.86 -56.97 1.45 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.766 0.283 . . . . 0.0 111.411 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.6 mmm -47.26 -57.73 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -171.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -67.64 -25.19 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 2.2 mp0 -87.47 -42.6 12.67 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -175.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.669 ' O ' HG21 ' A' ' 10' ' ' VAL . 4.0 mm? -62.49 -48.22 80.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.851 173.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.02 -36.42 74.93 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.21 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.516 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 5.3 m-20 -59.11 -46.32 88.64 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.525 175.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 34.8 mmtp -61.23 -44.14 97.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.989 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.669 HG21 ' O ' ' A' ' 6' ' ' LEU . 4.9 t -58.47 -49.47 82.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.313 0.577 . . . . 0.0 110.188 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.21 -30.02 67.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.722 -175.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 46.1 mt-10 -64.24 -45.92 86.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.989 0.423 . . . . 0.0 110.005 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.57 -35.99 82.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.481 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 12.3 tp -62.43 -31.97 72.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.821 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -73.12 -37.38 66.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.738 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.743 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 54.4 pttt -81.33 -29.77 34.05 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.508 175.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 8.4 m120 -50.56 -46.64 57.71 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 167.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -59.97 -62.41 1.89 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.043 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.613 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 74.7 m-70 -65.25 -41.96 93.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.857 -174.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.743 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 3.5 tp -67.11 -31.55 72.09 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.601 0.36 . . . . 0.0 110.538 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 4.3 mt-10 -63.67 -41.51 98.17 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 122.101 -0.374 . . . . 0.0 110.181 172.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -67.15 -32.13 73.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.685 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 11.1 mm-40 -60.85 -48.68 80.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.416 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG22 HG22 ' B' ' 24' ' ' VAL . 48.4 t -61.32 -43.49 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.128 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.23 78.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.249 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -59.91 -60.22 4.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.508 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.617 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.6 mp -54.09 -39.82 66.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.636 -176.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HD3' HD21 ' B' ' 27' ' ' LEU . 16.6 tptp -57.99 -40.02 79.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.733 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -75.2 -27.62 59.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.439 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -74.95 -33.57 61.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.671 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.8 t -73.39 -24.98 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 171.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.81 31.54 17.75 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 114.614 -1.176 . . . . 0.0 112.106 175.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.513 -178.756 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.3 p -126.03 -57.12 1.43 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.9 0.35 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 95.6 mmm -47.13 -57.81 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -171.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -67.65 -25.1 65.55 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 2.3 mp0 -87.7 -42.65 12.49 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -175.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.673 ' O ' HG21 ' B' ' 10' ' ' VAL . 4.0 mm? -62.5 -48.19 80.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.948 173.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.03 -36.3 74.73 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.28 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 5.4 m-20 -59.38 -46.19 89.36 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.432 175.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 34.8 mmtp -61.12 -44.27 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.027 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.673 HG21 ' O ' ' B' ' 6' ' ' LEU . 5.0 t -58.62 -49.07 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.26 0.553 . . . . 0.0 110.249 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -70.36 -30.13 66.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.752 -175.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 46.2 mt-10 -64.2 -45.92 86.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.059 0.457 . . . . 0.0 109.94 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.49 -35.98 82.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.544 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' B' ' 17' ' ' ASN . 12.3 tp -62.56 -31.68 72.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.837 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 8.1 t -73.27 -37.59 66.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.676 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.747 ' O ' ' HB3' ' B' ' 20' ' ' LEU . 54.4 pttt -81.3 -29.71 34.17 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 119.626 -0.83 . . . . 0.0 109.559 175.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.458 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 8.3 m120 -50.63 -46.45 58.27 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 167.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -60.28 -62.13 2.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.082 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.619 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 74.4 m-70 -65.41 -41.82 93.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.883 -174.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.747 ' HB3' ' O ' ' B' ' 16' ' ' LYS . 3.4 tp -67.21 -31.5 71.93 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.554 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 4.3 mt-10 -63.65 -41.64 98.21 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.182 172.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -67.21 -31.91 72.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 176.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 10.3 mm-40 -60.99 -48.62 80.98 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.405 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 24' ' ' VAL . 47.8 t -61.3 -43.29 96.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.85 0.357 . . . . 0.0 110.15 177.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.37 -45.95 80.28 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.261 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -60.21 -60.01 4.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.497 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.617 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.7 mp -54.09 -39.73 66.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.574 -176.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HD3' HD21 ' A' ' 27' ' ' LEU . 16.6 tptp -58.16 -40.02 80.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.638 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -75.37 -27.44 59.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.425 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mp -74.89 -33.71 62.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.668 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -73.1 -25.31 21.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 171.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.48 31.0 17.35 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.109 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' B' ' 28' ' ' LYS . 20.5 mm-40 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.413 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p -91.66 -22.91 20.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.734 0.267 . . . . 0.0 111.559 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.402 ' HA ' ' HE2' ' A' ' 3' ' ' MET . 0.0 OUTLIER -53.75 -58.37 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.278 -172.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -84.63 -14.95 47.14 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.554 -172.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -87.24 -44.98 11.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.139 0.495 . . . . 0.0 109.674 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 10' ' ' VAL . 3.9 mm? -65.78 -46.41 78.83 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 173.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.82 -34.34 72.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.53 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.93 -43.94 81.96 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.802 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -72.78 -37.23 67.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.082 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 6' ' ' LEU . 7.3 t -58.15 -53.01 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.359 0.6 . . . . 0.0 110.047 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.63 -17.56 59.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.274 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -76.56 -42.95 41.0 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.73 -26.12 66.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.482 172.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 tp -67.15 -28.22 67.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.313 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.0 t -74.25 -45.03 50.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.061 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.692 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 20.2 ptmt -72.61 -32.4 65.91 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.308 175.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 5.4 m-20 -55.94 -41.34 74.48 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 171.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -63.26 -47.66 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.938 175.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -60.49 -50.74 72.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.395 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 24.9 mt -60.83 -53.61 55.21 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.01 0.433 . . . . 0.0 110.339 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 8.1 tt0 -55.38 -47.43 75.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.161 -176.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -68.26 -33.3 74.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.61 -41.54 88.25 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 20' ' ' LEU . 57.8 t -59.43 -48.44 87.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.285 176.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . -58.58 -38.49 78.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.185 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -65.3 -52.66 52.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.482 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.1 mp -61.27 -37.23 82.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.098 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -62.94 -28.39 70.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.834 -178.146 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 35.2 mmtp -72.81 -34.75 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.951 0.405 . . . . 0.0 110.566 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.1 -31.21 61.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.209 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.2 t -96.63 32.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 122.071 0.939 . . . . 0.0 108.48 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.58 -52.75 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.296 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.415 -0.802 . . . . 0.0 110.231 179.555 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p -92.97 -22.86 18.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.768 0.284 . . . . 0.0 111.37 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.404 ' HA ' ' HE2' ' B' ' 3' ' ' MET . 0.0 OUTLIER -53.83 -58.2 8.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.157 -173.029 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -84.8 -14.7 47.32 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.477 -172.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -87.41 -45.19 10.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.242 0.544 . . . . 0.0 109.628 -175.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.656 ' O ' HG23 ' B' ' 10' ' ' VAL . 3.9 mm? -65.72 -46.44 78.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 173.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.82 -34.26 72.84 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.548 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.91 -43.75 81.68 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.9 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -72.88 -37.5 67.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.142 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 6' ' ' LEU . 7.5 t -57.89 -53.11 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 121.384 0.612 . . . . 0.0 110.018 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -75.74 -17.38 59.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.238 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -76.52 -43.01 41.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.69 -25.99 66.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 tp -67.65 -27.76 67.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.231 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -74.34 -45.39 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.13 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.697 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 20.0 ptmt -72.59 -32.19 65.79 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.205 175.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 5.4 m-20 -56.1 -41.49 75.31 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 171.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -63.1 -47.71 81.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.876 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -60.36 -50.89 71.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.478 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 25.1 mt -60.68 -53.64 54.95 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.04 0.448 . . . . 0.0 110.356 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 8.4 tt0 -55.47 -47.2 76.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.26 -176.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -68.36 -33.34 74.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.55 -41.42 88.7 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.208 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 20' ' ' LEU . 57.8 t -59.34 -48.63 86.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.262 176.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 29' ' ' LYS . . . -58.42 -38.78 78.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.014 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -65.12 -52.25 56.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.552 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.1 mp -61.76 -37.28 83.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.129 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -62.85 -28.17 69.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.916 -178.265 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' B' ' 25' ' ' ALA . 35.1 mmtp -72.91 -34.87 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.456 177.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.07 -31.13 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.165 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 t -96.44 32.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 122.152 0.977 . . . . 0.0 108.461 171.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.26 -52.87 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.109 -0.951 . . . . 0.0 112.254 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.221 179.599 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.41 ' O ' HD22 ' A' ' 6' ' ' LEU . 12.9 p -135.13 -61.87 0.73 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.848 0.324 . . . . 0.0 111.068 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.7 mmt -53.78 -48.2 70.01 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -173.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.43 -21.01 58.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.686 0.279 . . . . 0.0 111.463 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 25.8 mt-30 -89.22 -37.08 15.26 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.592 ' O ' HG22 ' A' ' 10' ' ' VAL . 4.0 mm? -67.09 -42.4 84.69 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.33 -34.09 74.68 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.306 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 13.3 m-20 -55.51 -38.76 69.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.811 174.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -71.86 -46.29 58.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.432 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 6' ' ' LEU . 7.6 t -57.97 -55.12 23.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.627 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.01 -22.03 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.246 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.31 -46.39 77.05 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 71.0 mt -67.29 -34.02 76.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.747 175.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.06 -32.08 70.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.573 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -70.92 -46.34 62.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.958 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.685 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 63.4 pttt -77.87 -30.69 51.0 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.256 177.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.474 ' ND2' ' HB3' ' B' ' 13' ' ' LEU . 4.4 m-20 -53.38 -44.96 69.03 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 170.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -58.47 -38.99 78.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.831 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -79.82 -45.12 19.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.789 -176.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 17.6 mt -58.68 -52.97 63.41 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.146 0.498 . . . . 0.0 109.877 178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -56.52 -41.01 76.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.093 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -74.46 -35.1 63.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.729 0.299 . . . . 0.0 110.821 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.27 -43.46 97.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.922 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 20' ' ' LEU . 93.0 t -58.69 -46.54 90.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.689 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.45 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.809 -175.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 16.7 ptp180 -66.78 -35.36 79.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.746 0.308 . . . . 0.0 110.945 -178.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD22 ' HG2' ' B' ' 28' ' ' LYS . 1.4 mp -61.92 -44.62 96.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.514 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HG2' HD22 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -69.41 -12.41 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.506 179.182 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -77.1 -38.77 51.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.729 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.5 -35.38 53.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.934 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 t -89.32 32.33 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 122.282 1.039 . . . . 0.0 108.234 171.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.39 -59.34 0.1 OUTLIER Glycine 0 N--CA 1.441 -0.985 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.467 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.64 176.476 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.426 ' O ' HD22 ' B' ' 6' ' ' LEU . 12.4 p -135.34 -61.67 0.73 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.654 0.227 . . . . 0.0 111.177 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.9 mmt -54.2 -48.55 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -172.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -75.08 -21.11 59.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.794 0.33 . . . . 0.0 111.511 -175.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 25.9 mt-30 -88.91 -37.17 15.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.283 0.563 . . . . 0.0 109.588 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.59 ' O ' HG22 ' B' ' 10' ' ' VAL . 4.0 mm? -67.0 -42.48 84.94 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 170.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.19 -34.19 74.68 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.393 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' B' ' 5' ' ' GLN . 12.7 m-20 -55.48 -38.67 69.44 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.739 174.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -71.85 -46.53 57.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.443 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.59 HG22 ' O ' ' B' ' 6' ' ' LEU . 7.5 t -57.68 -55.29 22.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.58 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -69.05 -21.72 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.136 -175.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -66.63 -46.16 76.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.474 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 70.8 mt -67.47 -34.01 76.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.724 175.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -60.08 -32.29 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.541 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 55.2 m -70.89 -45.79 63.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.134 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.691 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 63.3 pttt -78.31 -30.52 48.37 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.243 177.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 13' ' ' LEU . 4.3 m-20 -53.39 -45.28 69.22 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 170.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -58.18 -38.78 77.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.92 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -80.11 -45.03 18.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.697 -176.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 17.8 mt -58.7 -52.85 63.94 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.096 0.474 . . . . 0.0 109.852 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.52 -41.02 76.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.223 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -74.15 -35.65 64.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.331 . . . . 0.0 110.757 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.8 -43.46 98.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.066 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.578 HG22 ' O ' ' B' ' 20' ' ' LEU . 90.5 t -58.74 -46.56 90.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.607 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.09 -52.77 63.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.83 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' B' ' 29' ' ' LYS . 16.7 ptp180 -66.64 -35.2 79.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.955 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.438 HD22 ' HG2' ' A' ' 28' ' ' LYS . 1.4 mp -62.14 -44.74 95.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.932 0.396 . . . . 0.0 110.447 175.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.411 ' HG2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -69.04 -13.08 62.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.524 179.234 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.498 ' HA ' ' HE3' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -76.57 -38.69 54.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.306 0.574 . . . . 0.0 109.487 174.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.73 -35.14 52.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.938 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 t -89.43 32.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.243 1.021 . . . . 0.0 108.355 171.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.03 -58.87 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.362 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.722 -0.656 . . . . 0.0 109.839 176.425 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 p -83.94 -33.1 24.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.863 0.332 . . . . 0.0 111.535 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.2 mmm -55.11 -48.11 74.07 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -173.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -78.2 -23.91 47.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -86.05 -38.92 17.34 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.113 0.482 . . . . 0.0 109.817 -175.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.637 ' O ' HG22 ' A' ' 10' ' ' VAL . 4.0 mm? -66.84 -42.56 85.56 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.08 -35.5 78.84 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.427 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.73 -33.98 72.35 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.44 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -76.54 -40.17 50.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.456 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 6' ' ' LEU . 10.2 t -61.44 -48.06 90.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.377 0.608 . . . . 0.0 109.737 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . 1.1 tm-20 -70.12 -18.96 63.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.364 -178.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.65 -41.58 79.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.31 -52.53 46.35 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 169.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 8.0 tp -49.83 -33.81 17.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.228 -0.897 . . . . 0.0 112.387 -176.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p -75.72 -42.08 51.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.113 -178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -75.65 -31.34 59.77 Favored 'General case' 0 C--O 1.213 -0.849 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.182 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.73 -42.56 75.53 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 171.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -52.19 -47.2 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.24 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -79.65 -44.05 21.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.495 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.664 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 3.7 tp -64.46 -37.48 87.7 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.389 0.676 . . . . 0.0 111.287 -177.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -72.97 -34.77 66.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.943 -0.473 . . . . 0.0 110.085 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -73.4 -28.39 61.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.297 174.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.82 -45.94 90.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.124 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.434 HG23 HG23 ' B' ' 24' ' ' VAL . 54.9 t -62.12 -48.0 90.5 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.118 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.206 176.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.91 -43.23 69.56 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.476 ' O ' HD13 ' A' ' 30' ' ' LEU . 69.0 ttt180 -60.32 -58.15 9.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.117 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.2 mp -59.28 -35.14 73.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.598 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -25.08 67.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.783 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -86.55 -38.17 17.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.211 0.529 . . . . 0.0 109.926 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.508 ' HB3' HG21 ' B' ' 31' ' ' VAL . 10.1 mp -61.48 -50.56 72.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.703 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' B' ' 30' ' ' LEU . 8.2 p -87.97 -9.11 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.422 0.629 . . . . 0.0 109.875 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.35 -54.98 7.21 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.204 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.031 178.798 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p -83.37 -33.57 25.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.719 0.259 . . . . 0.0 111.486 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 96.1 mmm -54.94 -47.94 73.82 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -78.31 -24.11 46.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -85.83 -39.03 17.5 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.096 0.474 . . . . 0.0 109.83 -175.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.636 ' O ' HG22 ' B' ' 10' ' ' VAL . 4.0 mm? -66.86 -42.65 85.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.89 -35.66 79.01 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.46 174.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -59.76 -33.61 71.89 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.398 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -76.99 -39.46 50.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.657 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.636 HG22 ' O ' ' B' ' 6' ' ' LEU . 9.8 t -61.84 -48.34 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.245 0.545 . . . . 0.0 109.662 176.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.423 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 1.1 tm-20 -70.03 -19.18 63.32 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.287 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.39 -41.57 80.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.41 -52.33 47.69 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 170.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.423 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 8.0 tp -49.76 -34.36 18.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.27 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p -75.36 -41.99 55.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.193 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -75.62 -31.31 59.82 Favored 'General case' 0 C--O 1.213 -0.817 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.227 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.88 -42.41 75.88 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 171.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -52.31 -47.32 66.03 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.214 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -79.43 -44.53 21.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.361 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.664 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 3.8 tp -64.04 -37.49 87.63 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.351 0.66 . . . . 0.0 111.368 -177.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -72.82 -34.61 66.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.9 -0.5 . . . . 0.0 110.244 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -73.93 -28.36 61.48 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.293 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -62.6 -46.16 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.164 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.434 HG23 HG23 ' A' ' 24' ' ' VAL . 54.9 t -61.95 -47.93 90.92 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.226 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.56 70.11 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.477 ' O ' HD13 ' B' ' 30' ' ' LEU . 68.9 ttt180 -60.86 -57.92 10.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.207 176.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.2 mp -59.39 -35.19 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.59 -177.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -25.69 68.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.751 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -85.81 -38.57 18.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.088 0.471 . . . . 0.0 109.945 175.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.488 ' HB3' HG21 ' A' ' 31' ' ' VAL . 10.1 mp -61.22 -50.39 73.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.685 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 30' ' ' LEU . 8.2 p -88.41 -8.65 10.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.579 0.704 . . . . 0.0 109.875 176.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.79 -54.84 6.93 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.068 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.015 178.845 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p -157.88 -35.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.568 0.223 . . . . 0.0 111.219 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.7 mmt -50.7 -51.36 50.35 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -73.37 -10.2 59.5 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.716 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 52.8 mt-30 -95.15 -44.91 7.42 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 10' ' ' VAL . 4.1 mm? -67.01 -44.26 80.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.3 175.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.74 -32.51 73.65 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.571 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.21 -37.86 84.52 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.604 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.0 mmmt -66.89 -43.56 83.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.529 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.586 HG22 ' O ' ' A' ' 6' ' ' LEU . 5.7 t -62.96 -51.89 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.713 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.66 -21.44 62.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.739 -175.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.39 -44.71 74.51 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 56.7 mt -68.88 -29.24 67.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.821 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.19 -35.33 79.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.457 176.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 t -70.5 -46.44 63.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.628 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.67 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -70.7 -33.01 70.43 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.125 177.068 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 7.6 m-20 -56.43 -45.61 80.67 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 170.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -58.7 -39.51 80.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.557 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -74.69 -49.17 22.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.577 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 23.5 mt -56.67 -52.98 62.84 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.092 0.472 . . . . 0.0 110.176 178.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.5 OUTLIER -54.46 -43.69 71.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.163 -176.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 30.3 m-80 -76.3 -30.36 57.7 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.069 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.63 -37.73 85.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.542 HG21 ' O ' ' A' ' 20' ' ' LEU . 98.0 t -61.68 -44.47 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.046 174.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.15 83.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.304 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.566 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 36.4 mmt180 -63.2 -55.7 22.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.168 177.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.661 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 6.3 mp -60.5 -37.56 81.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.707 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -63.04 -29.52 70.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.04 0.448 . . . . 0.0 110.376 -177.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -84.58 -26.83 27.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.123 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 89.8 mt -78.31 -39.48 39.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.282 -176.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' B' ' 30' ' ' LEU . 10.4 p -81.21 -10.32 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.861 0.839 . . . . 0.0 109.751 175.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.78 55.02 5.58 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.492 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.679 179.89 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.8 p -157.62 -35.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.526 0.203 . . . . 0.0 111.223 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.6 mmt -50.72 -51.36 50.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -73.5 -10.17 59.45 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.728 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 52.5 mt-30 -95.11 -44.77 7.5 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.581 ' O ' HG22 ' B' ' 10' ' ' VAL . 4.2 mm? -67.08 -44.4 80.17 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.317 175.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -62.63 -32.61 73.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.527 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.08 -37.75 83.81 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.601 174.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 32.0 mmmt -67.26 -43.46 81.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.635 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.581 HG22 ' O ' ' B' ' 6' ' ' LEU . 5.6 t -62.8 -52.11 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.719 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.62 -21.0 62.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.863 -175.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -68.86 -44.53 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.429 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 57.5 mt -69.07 -28.94 66.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.857 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.13 -35.77 81.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.442 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.2 t -70.23 -46.68 63.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.559 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.674 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.1 OUTLIER -70.35 -32.99 70.93 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.354 176.763 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 7.7 m-20 -56.53 -45.68 81.03 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 170.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -58.72 -39.43 80.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.606 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -74.79 -49.04 22.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.669 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 23.7 mt -56.61 -53.11 61.4 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.04 0.448 . . . . 0.0 110.104 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 0.5 OUTLIER -54.14 -43.96 70.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.214 -177.043 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.443 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 30.3 m-80 -76.24 -30.42 57.88 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.085 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.53 -37.95 86.12 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.547 HG21 ' O ' ' B' ' 20' ' ' LEU . 96.8 t -61.62 -44.43 98.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.001 174.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.15 83.08 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.176 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.574 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 36.5 mmt180 -63.47 -55.61 22.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.208 177.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.661 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 6.3 mp -60.41 -37.64 81.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.651 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.515 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 0.3 OUTLIER -62.93 -29.64 70.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 110.459 -177.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -84.48 -26.87 27.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.261 0.553 . . . . 0.0 110.1 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 89.6 mt -78.12 -39.55 40.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.387 -176.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.454 HG22 ' HB3' ' A' ' 30' ' ' LEU . 10.5 p -80.94 -11.02 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.856 0.836 . . . . 0.0 109.77 174.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.59 54.26 5.56 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.657 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.698 -179.862 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p -131.55 -12.09 3.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.636 0.255 . . . . 0.0 111.597 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.407 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 96.8 mmm -57.53 -56.64 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.015 -170.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -70.55 -20.92 62.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -173.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -38.14 16.71 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.592 ' O ' HG22 ' A' ' 10' ' ' VAL . 3.9 mm? -65.63 -46.82 77.78 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.01 172.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 46.3 mt-10 -59.43 -33.51 71.34 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.793 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 6.3 m-20 -56.28 -40.14 73.8 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.686 174.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.48 -42.01 62.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.722 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 6' ' ' LEU . 12.7 t -57.12 -59.07 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.478 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 12.7 pt-20 -70.47 -15.82 62.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.36 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -68.63 -43.78 75.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.306 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.2 -29.31 62.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.089 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 16.6 tp -63.63 -34.58 78.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.191 175.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -66.83 -36.45 82.38 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.179 -0.918 . . . . 0.0 108.88 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -69.37 -41.82 76.03 Favored 'General case' 0 C--O 1.206 -1.214 0 C-N-CA 120.012 -0.675 . . . . 0.0 109.521 173.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -54.61 -38.02 66.3 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -64.89 -63.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.662 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.54 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 48.5 m-70 -66.08 -39.35 89.97 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.145 -174.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.56 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 36.8 tp -70.09 -33.69 72.2 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 123.037 0.535 . . . . 0.0 110.5 -176.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HB2' HD21 ' B' ' 20' ' ' LEU . 30.1 tt0 -75.91 -31.28 59.1 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -61.72 -32.22 72.43 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 15.7 mm-40 -69.47 -50.45 45.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.787 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.479 HG23 ' CD1' ' B' ' 20' ' ' LEU . 91.1 t -55.51 -50.79 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.263 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.72 -41.83 82.56 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.409 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER -66.37 -51.38 57.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.248 179.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 2.7 mp -60.11 -42.96 95.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.069 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.56 -25.69 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.25 -175.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -72.73 -38.85 67.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.39 -32.7 60.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.592 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.7 t -73.24 -24.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 171.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.29 -51.58 51.44 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.423 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.351 -179.863 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.5 p -131.12 -11.98 3.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.658 0.266 . . . . 0.0 111.592 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' B' ' 7' ' ' GLU . 97.3 mmm -57.61 -56.64 19.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.14 -170.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -70.58 -20.94 62.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.24 -38.09 16.64 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.602 ' O ' HG22 ' B' ' 10' ' ' VAL . 3.9 mm? -65.57 -46.74 78.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.028 172.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 46.3 mt-10 -59.66 -33.41 71.52 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.867 175.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 6.3 m-20 -56.57 -39.51 73.6 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.655 174.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.88 -41.94 61.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.602 HG22 ' O ' ' B' ' 6' ' ' LEU . 12.8 t -57.17 -59.18 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.45 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 12.8 pt-20 -70.38 -16.08 62.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.305 -175.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' B' ' 8' ' ' ASP . 0.2 OUTLIER -68.4 -43.77 76.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.219 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 78.0 mt -73.08 -29.4 62.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.14 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.446 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 16.6 tp -63.44 -34.92 78.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.151 175.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -66.39 -36.68 83.45 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.932 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -69.26 -41.96 76.22 Favored 'General case' 0 C--O 1.204 -1.317 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.515 173.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -54.69 -37.74 66.17 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -65.07 -63.16 1.17 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.695 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.536 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 49.3 m-70 -66.01 -39.4 90.23 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -174.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.56 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 36.5 tp -70.0 -33.76 72.45 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.089 0.555 . . . . 0.0 110.507 -176.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.445 ' HB2' HD21 ' A' ' 20' ' ' LEU . 30.0 tt0 -75.78 -31.47 59.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -61.34 -32.5 72.39 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 17.0 mm-40 -69.35 -50.62 44.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.776 175.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.48 HG23 ' CD1' ' A' ' 20' ' ' LEU . 89.7 t -55.33 -50.85 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.274 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.2 82.6 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.437 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.523 ' HA ' ' HE ' ' B' ' 26' ' ' ARG . 1.1 tpm_? -66.17 -51.41 58.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.165 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 2.6 mp -59.99 -42.68 94.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.131 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -64.16 -24.88 67.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.237 -175.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -73.21 -39.16 65.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.104 0.478 . . . . 0.0 110.372 175.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.13 -33.0 61.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.488 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -73.29 -24.06 20.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 171.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.55 -52.23 44.98 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.42 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.191 -179.865 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 112.238 -0.345 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 p -55.7 -41.95 74.5 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.6 mmt -56.79 -48.45 77.89 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.478 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -73.94 -13.9 60.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 28.4 mt-30 -95.79 -43.48 7.85 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -177.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.527 ' O ' HG21 ' A' ' 10' ' ' VAL . 4.2 mm? -69.37 -45.34 69.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.837 175.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.04 -29.7 70.1 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.68 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -29.74 70.72 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.986 173.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 64.0 mttm -74.75 -43.0 57.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.953 0.406 . . . . 0.0 110.09 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.527 HG21 ' O ' ' A' ' 6' ' ' LEU . 8.4 t -60.16 -56.33 18.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.444 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.79 -19.11 64.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.057 -176.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.1 -46.1 75.22 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.474 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 79.8 mt -69.99 -26.14 63.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.05 175.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 tp -66.96 -34.23 77.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.999 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 18' ' ' TYR . 32.3 t -72.15 -41.64 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.332 -177.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 19.7 ptmt -73.34 -36.93 66.26 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.478 175.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 8.0 m-20 -54.81 -38.2 67.06 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 171.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 15' ' ' SER . 89.2 t80 -61.42 -53.97 49.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.538 176.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.561 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 40.4 m80 -73.08 -34.28 66.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.697 -176.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.662 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 28.4 tp -68.57 -32.91 73.16 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 122.782 0.433 . . . . 0.0 110.038 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -70.9 -35.66 72.41 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.157 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 14.6 m120 -57.48 -42.16 82.09 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 7.8 mm-40 -61.81 -47.75 83.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.354 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.46 HG22 ' CD1' ' B' ' 20' ' ' LEU . 89.6 t -60.17 -48.1 89.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 178.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.12 87.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.596 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -67.02 -45.22 78.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.2 mp -62.47 -38.86 91.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -60.56 -27.26 67.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.374 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -73.81 -37.11 65.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.229 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mp -79.07 -42.11 27.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.171 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.8 t -73.17 -25.05 21.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.812 0.815 . . . . 0.0 109.263 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.35 -54.9 11.3 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.87 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.707 -0.664 . . . . 0.0 110.692 -178.353 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.6 p -55.79 -41.52 74.23 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 122.492 0.317 . . . . 0.0 111.683 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.6 mmt -56.98 -48.73 77.71 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.418 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -73.69 -13.85 61.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -176.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 28.5 mt-30 -95.93 -43.38 7.84 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.524 ' O ' HG21 ' B' ' 10' ' ' VAL . 4.2 mm? -69.43 -45.49 69.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.726 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.83 -30.05 70.61 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.66 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -29.56 70.56 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.923 173.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 64.2 mttm -74.93 -42.74 57.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.524 HG21 ' O ' ' B' ' 6' ' ' LEU . 9.2 t -60.3 -56.55 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.417 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.53 -18.91 64.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.164 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.16 -46.17 74.82 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.468 ' HA ' ' HG2' ' B' ' 16' ' ' LYS . 79.8 mt -70.06 -26.06 63.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.089 175.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -66.97 -34.31 77.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.009 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' B' ' 18' ' ' TYR . 29.6 t -72.39 -41.38 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.34 -177.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 19.5 ptmt -73.49 -36.66 65.83 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.513 175.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 8.0 m-20 -54.94 -38.21 67.43 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 171.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' B' ' 15' ' ' SER . 89.0 t80 -61.45 -53.58 54.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.604 176.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.559 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 40.0 m80 -73.64 -34.41 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.609 -176.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.662 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 29.7 tp -68.45 -32.92 73.28 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 122.745 0.418 . . . . 0.0 109.967 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 0.7 OUTLIER -71.02 -35.17 71.93 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.107 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' B' ' 19' ' ' HIS . 14.8 m120 -57.81 -42.33 84.03 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 173.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 7.6 mm-40 -61.58 -47.84 83.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.407 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 20' ' ' LEU . 90.2 t -60.15 -48.11 89.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.77 87.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.652 -175.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -67.28 -45.01 77.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.2 mp -62.82 -38.89 92.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.695 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -60.51 -27.48 67.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.485 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -73.55 -37.52 65.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.063 0.459 . . . . 0.0 110.267 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.65 -41.91 30.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.233 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -73.19 -25.63 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.719 0.771 . . . . 0.0 109.157 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.61 -55.81 11.07 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 114.787 -1.097 . . . . 0.0 112.687 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.532 -178.364 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 p -136.72 -35.17 0.73 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.79 -0.241 . . . . 0.0 111.221 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.438 ' HE2' ' HA ' ' A' ' 3' ' ' MET . 0.2 OUTLIER -57.49 -59.83 4.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.639 -174.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HG3' ' NE2' ' A' ' 5' ' ' GLN . 9.8 ptpp? -85.98 -6.0 59.13 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.139 -176.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 4' ' ' LYS . 1.8 mp0 -84.31 -48.33 9.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.441 0.639 . . . . 0.0 109.298 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.643 ' O ' HG21 ' A' ' 10' ' ' VAL . 4.0 mm? -67.3 -44.2 79.84 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.767 174.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.57 -33.88 73.35 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.747 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 1.3 m-20 -57.22 -43.58 82.98 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.305 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -69.73 -39.46 76.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.704 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.643 HG21 ' O ' ' A' ' 6' ' ' LEU . 9.6 t -60.1 -49.25 84.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.009 0.433 . . . . 0.0 110.018 178.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.27 -31.06 72.12 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.308 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 43.2 mt-10 -66.01 -42.8 89.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 110.232 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 mt -70.25 -30.02 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.0 174.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.4 -30.94 71.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.486 0.66 . . . . 0.0 109.851 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.9 m -74.42 -38.98 62.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.003 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.69 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 51.5 mtmt -69.9 -34.75 73.94 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.441 173.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.599 ' OD1' ' HE3' ' B' ' 16' ' ' LYS . 7.5 m-80 -59.15 -36.27 74.96 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -64.95 -51.39 62.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.233 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -63.4 -54.87 29.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.765 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 27.8 mt -58.65 -56.68 19.06 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 120.972 0.415 . . . . 0.0 110.559 -176.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -58.07 -38.61 76.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.058 -175.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -70.94 -34.18 71.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.584 0.23 . . . . 0.0 110.717 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -41.12 79.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.694 177.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 20' ' ' LEU . 45.7 t -58.54 -49.01 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -60.62 -41.81 95.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.062 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -63.29 -51.69 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.147 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.558 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.8 mp -61.29 -37.07 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -63.64 -26.52 68.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.964 -178.528 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 25' ' ' ALA . 67.6 mttm -73.51 -35.64 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.078 0.466 . . . . 0.0 110.327 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.55 -36.97 65.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.648 177.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 31' ' ' VAL . 12.3 t -89.42 26.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 122.269 1.033 . . . . 0.0 108.668 172.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -116.08 -38.32 0.96 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.078 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.505 -0.759 . . . . 0.0 109.501 175.786 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.0 p -136.78 -35.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.578 0.228 . . . . 0.0 111.125 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.442 ' HA ' ' HE2' ' B' ' 3' ' ' MET . 0.2 OUTLIER -56.94 -60.11 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.657 -174.47 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.428 ' HG3' ' NE2' ' B' ' 5' ' ' GLN . 9.7 ptpp? -85.95 -5.64 59.19 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 120.762 0.315 . . . . 0.0 111.144 -175.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.428 ' NE2' ' HG3' ' B' ' 4' ' ' LYS . 1.8 mp0 -84.62 -48.08 9.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.636 ' O ' HG21 ' B' ' 10' ' ' VAL . 4.0 mm? -67.41 -44.31 79.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.739 174.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.63 -33.78 73.3 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.66 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.541 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 1.2 m-20 -57.26 -43.35 82.93 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.29 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -69.88 -39.48 76.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.708 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.636 HG21 ' O ' ' B' ' 6' ' ' LEU . 10.2 t -60.02 -49.11 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 121.226 0.536 . . . . 0.0 109.979 178.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.51 -31.16 72.24 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.238 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 43.1 mt-10 -65.93 -42.88 89.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.863 0.363 . . . . 0.0 110.185 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 57.4 mt -70.38 -29.92 66.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.942 175.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.35 -30.94 71.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.359 0.6 . . . . 0.0 109.766 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 32.4 m -74.27 -39.35 63.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.019 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.691 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 51.4 mtmt -69.71 -34.69 74.24 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.423 173.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.609 ' OD1' ' HE3' ' A' ' 16' ' ' LYS . 7.5 m-80 -59.07 -36.55 75.27 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -64.69 -51.46 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.176 174.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -63.45 -54.87 29.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.754 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 27.9 mt -58.71 -56.59 20.24 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 120.947 0.403 . . . . 0.0 110.579 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -58.32 -38.17 76.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.1 -175.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -71.01 -34.31 71.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.547 0.213 . . . . 0.0 110.733 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -40.87 78.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.673 177.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 20' ' ' LEU . 45.0 t -58.71 -49.1 83.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.971 0.415 . . . . 0.0 110.004 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -60.36 -41.88 94.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.106 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -63.34 -51.8 64.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.023 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.558 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.8 mp -61.2 -37.24 82.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -63.39 -26.47 68.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -178.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' B' ' 25' ' ' ALA . 67.7 mttm -73.53 -35.77 65.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 0.0 110.331 177.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -73.5 -36.65 65.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.749 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.414 ' O ' HG12 ' B' ' 31' ' ' VAL . 12.3 t -89.61 25.96 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 122.267 1.032 . . . . 0.0 108.587 171.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -116.62 -37.45 0.99 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.17 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.519 -0.753 . . . . 0.0 109.765 175.461 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 p -127.5 -12.1 5.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.621 0.21 . . . . 0.0 111.397 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.445 ' HA ' ' HE3' ' A' ' 3' ' ' MET . 28.8 mmt -57.82 -56.81 17.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.31 -173.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.438 ' HZ1' ' HB3' ' A' ' 4' ' ' LYS . 7.6 mtpm? -72.46 -20.59 61.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.518 -174.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -87.18 -45.84 10.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.126 0.489 . . . . 0.0 109.989 -174.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.584 ' O ' HG22 ' A' ' 10' ' ' VAL . 3.9 mm? -66.44 -43.07 86.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.02 -30.0 70.95 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.648 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.28 -43.05 82.78 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.491 173.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.23 -41.22 81.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.96 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 6' ' ' LEU . 7.5 t -59.54 -52.44 60.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.133 0.492 . . . . 0.0 110.046 178.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . 44.8 tt0 -69.46 -20.82 63.75 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.194 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.53 -39.29 70.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 60.6 mt -74.3 -24.26 59.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.131 172.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 19.7 tp -69.16 -37.09 78.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.9 p -74.34 -34.38 63.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.981 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.673 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -76.36 -32.14 58.45 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.793 173.219 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 11.5 m-20 -57.11 -39.12 74.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 171.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.24 -47.68 83.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.9 173.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.495 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 21.4 t-80 -60.1 -52.87 63.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.419 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 20.2 mt -59.25 -51.3 70.57 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.862 0.363 . . . . 0.0 110.227 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 4.0 mt-10 -52.94 -44.28 66.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.241 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.89 -35.84 79.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 178.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 23.7 mm-40 -65.83 -46.07 79.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.579 177.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 20' ' ' LEU . 32.1 t -61.44 -45.26 99.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.235 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.33 88.14 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.364 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.539 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 4.2 mmp_? -66.09 -48.5 70.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.731 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.7 mp -61.24 -37.95 84.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HG2' HD23 ' B' ' 27' ' ' LEU . 49.4 mmtt -60.48 -28.64 68.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.341 177.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -72.4 -36.35 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.817 0.341 . . . . 0.0 110.577 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -78.38 -39.07 40.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -76.24 -25.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.687 0.756 . . . . 0.0 109.209 174.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.48 -63.06 2.71 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 114.804 -1.089 . . . . 0.0 112.77 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.541 -176.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.3 p -127.08 -12.16 5.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.589 0.233 . . . . 0.0 111.552 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.446 ' HE3' ' HA ' ' B' ' 3' ' ' MET . 29.0 mmt -57.89 -56.5 21.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.531 -173.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.446 ' HZ1' ' HB3' ' B' ' 4' ' ' LYS . 7.6 mtpm? -72.98 -20.36 61.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.332 -174.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -87.14 -45.97 10.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.149 0.5 . . . . 0.0 110.018 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.579 ' O ' HG22 ' B' ' 10' ' ' VAL . 3.9 mm? -66.56 -43.03 86.16 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.91 -29.82 70.79 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.727 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.27 -43.49 83.14 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.498 173.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -67.86 -41.07 83.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.991 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.579 HG22 ' O ' ' B' ' 6' ' ' LEU . 8.0 t -59.78 -52.48 60.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.093 0.473 . . . . 0.0 109.919 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.415 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 44.8 tt0 -69.19 -21.0 63.99 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.352 -177.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.31 -39.34 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.459 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 60.9 mt -74.41 -24.26 59.08 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.114 172.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.415 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 19.6 tp -69.03 -36.98 78.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.95 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.6 p -74.18 -34.75 63.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.675 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.4 OUTLIER -76.2 -32.1 58.8 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.844 173.288 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' A' ' 13' ' ' LEU . 11.8 m-20 -57.2 -38.77 74.18 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 171.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.47 -47.75 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.836 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 21.4 t-80 -59.94 -52.95 63.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.382 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 20.1 mt -59.09 -51.43 70.07 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.872 0.368 . . . . 0.0 110.226 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 3.9 mt-10 -52.85 -44.32 66.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.17 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.07 -35.59 78.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 24.1 mm-40 -66.08 -45.94 79.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.59 177.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.555 HG22 ' O ' ' B' ' 20' ' ' LEU . 32.0 t -61.56 -45.28 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.189 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.34 88.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.455 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.543 ' HA ' ' NE ' ' B' ' 26' ' ' ARG . 4.3 mmp_? -65.82 -48.86 70.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.714 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.8 mp -61.11 -37.67 83.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.225 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.445 ' HG2' HD23 ' A' ' 27' ' ' LEU . 49.7 mmtt -60.62 -28.8 68.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.286 177.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -72.26 -36.48 69.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.751 0.31 . . . . 0.0 110.671 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -78.1 -39.82 40.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.969 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.3 t -75.54 -25.08 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.574 0.702 . . . . 0.0 109.202 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.49 -62.55 2.85 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.892 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.872 -176.703 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.797 -0.521 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 p -95.24 -66.78 0.89 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -177.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -40.29 -60.24 1.12 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -169.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -16.48 58.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 2.3 mp0 -99.45 -41.98 7.15 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -174.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.624 ' O ' HG22 ' A' ' 10' ' ' VAL . 61.9 mt -69.03 -46.08 68.83 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.158 176.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.97 -32.82 74.73 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.0 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -57.69 -46.46 84.29 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.398 173.346 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 95.9 mttt -59.97 -44.38 94.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 6' ' ' LEU . 5.3 t -57.64 -54.03 36.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.611 -178.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -68.68 -29.15 67.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.72 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 46.0 mt-10 -65.25 -43.85 90.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 0.0 110.11 176.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.66 -25.58 63.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.007 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.73 -36.57 80.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.935 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.5 m -69.89 -36.38 75.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.601 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.676 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 22.6 mtpp -68.22 -38.18 81.62 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.849 172.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.583 ' OD1' ' HE3' ' B' ' 16' ' ' LYS . 7.8 m-80 -59.14 -38.51 79.84 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -61.05 -53.5 56.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.762 174.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -59.6 -53.36 58.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.719 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 24.5 mt -59.86 -56.87 16.42 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.824 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -58.59 -39.89 81.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.912 -176.126 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.84 -36.15 79.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.379 177.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.85 -40.85 83.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.178 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 20' ' ' LEU . 58.6 t -58.33 -49.87 80.48 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.884 176.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -58.9 -38.2 78.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.265 -178.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -66.51 -52.17 48.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.127 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.535 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.2 mp -60.34 -36.96 79.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.521 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -64.31 -25.47 68.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.922 -178.584 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 25' ' ' ALA . 62.4 mttp -78.06 -32.87 51.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.911 0.386 . . . . 0.0 110.519 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.23 -36.51 69.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.28 0.562 . . . . 0.0 109.523 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 t -91.58 31.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.185 0.993 . . . . 0.0 108.539 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.23 -54.09 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.991 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.889 -0.577 . . . . 0.0 109.934 178.681 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -95.02 -67.1 0.87 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -40.01 -60.25 1.07 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -169.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -16.32 58.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -169.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 2.4 mp0 -99.53 -42.07 7.08 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -174.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.625 ' O ' HG22 ' B' ' 10' ' ' VAL . 61.6 mt -68.95 -46.09 69.06 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.87 -33.18 75.39 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.852 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 0.9 OUTLIER -57.53 -46.1 84.23 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.535 173.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 96.0 mttt -60.27 -44.23 95.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.625 HG22 ' O ' ' B' ' 6' ' ' LEU . 5.1 t -57.84 -54.08 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.579 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -68.47 -29.34 67.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.65 -174.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 46.0 mt-10 -65.3 -43.52 90.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.937 0.399 . . . . 0.0 110.101 176.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.92 -25.75 63.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.914 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.49 -36.81 81.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.878 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 20.4 m -69.91 -35.93 74.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.772 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.685 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 22.7 mtpp -68.79 -37.87 79.59 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.707 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.569 ' OD1' ' HE3' ' A' ' 16' ' ' LYS . 7.6 m-80 -59.16 -38.93 80.91 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 174.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -60.65 -53.61 55.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.806 174.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -59.56 -53.28 59.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.687 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 24.3 mt -59.95 -56.76 17.77 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 120.78 0.324 . . . . 0.0 110.739 -178.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 0.4 OUTLIER -58.66 -39.89 81.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.848 -175.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -35.96 79.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.388 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -68.06 -41.0 82.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.166 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 20' ' ' LEU . 59.1 t -58.24 -49.73 80.81 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 CA-C-O 120.963 0.411 . . . . 0.0 110.012 175.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -59.08 -38.23 78.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.249 -178.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -66.46 -52.27 48.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.222 178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.535 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.2 mp -60.2 -37.18 79.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.942 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -64.1 -25.74 68.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 -178.49 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' B' ' 25' ' ' ALA . 62.5 mttp -77.69 -32.98 53.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.555 177.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.44 -35.8 68.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.157 0.503 . . . . 0.0 109.698 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.2 t -92.15 31.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 122.33 1.062 . . . . 0.0 108.547 171.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.11 -54.26 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.883 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.485 -0.769 . . . . 0.0 109.78 178.597 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -110.24 -35.9 5.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.708 0.254 . . . . 0.0 111.47 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.474 ' HA ' ' CD1' ' B' ' 6' ' ' LEU . 83.8 mtp -58.0 -53.67 55.58 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -170.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -82.38 -11.51 58.52 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.877 0.37 . . . . 0.0 111.192 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -95.76 -44.91 7.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.048 0.451 . . . . 0.0 109.837 -173.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 10' ' ' VAL . 21.1 mt -72.04 -37.14 69.77 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.65 -37.34 85.99 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.118 173.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.39 -32.9 73.78 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.949 175.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -70.2 -42.13 72.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.156 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 6' ' ' LEU . 5.8 t -60.48 -48.99 86.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.342 0.591 . . . . 0.0 110.096 178.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -67.53 -26.66 66.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.785 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.03 -37.57 81.54 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.6 mt -64.6 -45.83 85.26 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 170.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 17' ' ' ASN . 2.9 tp -57.44 -22.09 41.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.075 0.464 . . . . 0.0 111.168 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -71.62 -47.07 57.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.076 176.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.44 -31.72 54.09 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.696 177.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . 5.7 m-20 -58.42 -37.41 75.31 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 171.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -60.72 -51.35 69.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.101 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -66.91 -46.39 74.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.744 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.686 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 6.9 tp -66.24 -35.11 79.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.384 0.674 . . . . 0.0 111.921 -177.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.77 -43.57 83.68 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.84 -0.537 . . . . 0.0 110.605 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 33.9 m-80 -69.91 -30.19 67.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.457 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.472 ' O ' HD13 ' A' ' 27' ' ' LEU . 37.5 tt0 -62.37 -45.35 93.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.094 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 HG23 ' B' ' 24' ' ' VAL . 24.6 t -60.26 -46.41 94.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.496 175.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.4 -44.58 76.32 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.649 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.499 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 98.4 mtt180 -61.29 -55.56 30.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 2.4 mp -58.39 -42.88 88.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.059 -178.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -61.09 -40.53 94.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.872 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -74.54 -21.91 59.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.597 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 82.4 mt -83.19 -31.68 26.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.316 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 27' ' ' LEU . 53.9 t -73.31 -28.26 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 170.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 26.57 19.86 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.247 175.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--O 1.244 0.794 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.248 -178.023 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p -109.61 -35.7 6.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.476 0.179 . . . . 0.0 111.477 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.483 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 83.6 mtp -58.0 -53.93 52.68 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -170.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -81.91 -12.16 58.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.941 0.4 . . . . 0.0 111.232 -174.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -95.02 -45.42 7.25 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -173.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.636 ' O ' HG23 ' B' ' 10' ' ' VAL . 21.7 mt -71.6 -37.37 70.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.54 -37.43 86.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.081 173.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.52 -32.43 73.36 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.015 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -70.63 -41.96 71.51 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 6' ' ' LEU . 5.7 t -60.32 -49.1 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.393 0.616 . . . . 0.0 110.152 178.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.49 -26.49 66.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.821 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.29 -37.48 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.4 mt -64.74 -45.49 86.23 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 170.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' B' ' 17' ' ' ASN . 3.0 tp -57.54 -22.55 45.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.06 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.1 t -71.47 -46.92 58.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.949 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.41 -31.51 54.11 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.947 176.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.448 ' HB2' ' HA ' ' B' ' 14' ' ' LEU . 5.7 m-20 -58.73 -37.22 75.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 171.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -60.7 -51.51 69.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.085 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.82 -46.04 76.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.732 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.686 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 6.9 tp -66.76 -34.92 78.9 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.282 0.633 . . . . 0.0 111.855 -176.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.83 -43.34 84.0 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.792 -0.568 . . . . 0.0 110.605 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 35.4 m-80 -70.24 -29.98 66.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.996 0.427 . . . . 0.0 110.358 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.471 ' O ' HD13 ' B' ' 27' ' ' LEU . 37.6 tt0 -62.53 -45.18 94.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.063 176.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.437 HG23 HG23 ' A' ' 24' ' ' VAL . 24.5 t -60.62 -46.32 95.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.439 175.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.73 76.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.4 -177.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.492 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 98.4 mtt180 -61.27 -55.43 32.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.505 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 2.4 mp -58.54 -42.83 88.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.995 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -61.16 -40.59 94.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.887 -176.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -74.25 -22.31 59.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.67 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 80.9 mt -82.84 -31.99 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.331 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.435 HG21 ' O ' ' B' ' 27' ' ' LEU . 56.4 t -72.97 -28.43 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 170.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.94 26.8 18.26 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.157 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.158 -178.149 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 p -106.58 -52.03 2.85 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.85 -0.206 . . . . 0.0 111.387 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.418 ' HA ' ' HE1' ' A' ' 3' ' ' MET . 32.7 mmt -55.75 -60.26 3.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -173.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.479 ' HZ3' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -74.49 -10.64 59.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -171.796 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 83.5 mm-40 -98.21 -44.87 6.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.17 0.51 . . . . 0.0 109.626 -176.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.675 ' O ' HG22 ' A' ' 10' ' ' VAL . 4.3 mm? -68.17 -46.27 71.18 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.28 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 45.7 mt-10 -62.84 -35.03 78.59 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.656 177.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.655 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.23 -48.46 81.66 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.441 175.018 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 74.7 mmtt -60.35 -40.57 91.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.567 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 6' ' ' LEU . 16.9 t -57.18 -49.31 80.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.245 0.545 . . . . 0.0 109.799 177.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 8.0 mm-40 -73.07 -18.92 61.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.332 -176.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 13.6 mm-40 -71.03 -39.97 72.02 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 176.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.6 mt -70.67 -29.5 65.83 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 172.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 14.2 tp -64.77 -27.64 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.296 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -71.05 -41.88 70.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.992 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.784 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 21.8 ptmt -78.38 -25.46 46.26 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.809 175.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.589 ' ND2' ' HG3' ' B' ' 16' ' ' LYS . 9.3 m120 -54.12 -48.43 70.77 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 167.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.22 -41.74 96.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.437 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -62.62 -49.25 75.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.241 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.784 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 25.0 mt -64.93 -45.36 86.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -53.07 -46.96 68.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.149 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.471 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 11.5 m120 -62.97 -41.48 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.55 176.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.15 -44.82 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.846 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 20' ' ' LEU . 65.5 t -60.32 -47.85 90.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.312 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.3 86.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.281 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 38.9 mmt180 -62.94 -49.78 73.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 110.446 178.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.603 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.8 mp -64.61 -39.75 94.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.23 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.528 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -65.97 -23.07 66.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.542 -178.569 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -73.08 -38.31 66.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.263 0.554 . . . . 0.0 109.824 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' A' ' 32' ' ' GLY . 10.8 mp -75.61 -38.47 59.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.303 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 31' ' ' VAL . 12.9 t -87.61 29.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 122.356 1.074 . . . . 0.0 108.435 172.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 30' ' ' LEU . . . -132.73 -16.88 1.24 Allowed Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.861 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.54 -179.11 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p -106.46 -52.16 2.83 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.779 -0.248 . . . . 0.0 111.413 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.427 ' HA ' ' HE1' ' B' ' 3' ' ' MET . 32.5 mmt -55.53 -60.51 3.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.49 ' HZ3' ' HB2' ' B' ' 4' ' ' LYS . 0.0 OUTLIER -74.18 -10.68 59.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -171.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 83.6 mm-40 -98.29 -44.88 6.38 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -176.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.666 ' O ' HG22 ' B' ' 10' ' ' VAL . 4.3 mm? -68.2 -46.35 70.87 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.305 175.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 45.0 mt-10 -62.63 -35.2 78.83 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.666 177.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.656 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 0.5 OUTLIER -60.16 -48.38 81.96 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.513 175.124 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 74.7 mmtt -60.3 -40.81 91.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.572 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.666 HG22 ' O ' ' B' ' 6' ' ' LEU . 16.7 t -56.93 -49.43 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.385 0.612 . . . . 0.0 109.788 177.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 8.3 mm-40 -73.06 -18.94 61.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.353 -176.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.656 ' HG2' ' O ' ' B' ' 8' ' ' ASP . 11.9 mm-40 -71.19 -39.6 71.7 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.054 0.454 . . . . 0.0 109.832 176.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 mt -70.94 -29.48 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 172.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.464 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 14.2 tp -64.8 -27.72 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.249 175.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 19.0 m -70.99 -41.7 70.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.821 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.786 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 21.9 ptmt -78.55 -25.17 45.37 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.771 175.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.582 ' ND2' ' HG3' ' A' ' 16' ' ' LYS . 9.0 m120 -54.47 -48.6 71.59 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 167.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -63.82 -41.81 97.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.595 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -62.69 -49.36 75.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.297 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.786 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 25.4 mt -64.82 -45.49 85.98 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -52.71 -47.34 67.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.159 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.473 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 11.8 m120 -62.87 -41.23 99.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.43 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -66.37 -44.46 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.879 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.547 HG21 ' O ' ' B' ' 20' ' ' LEU . 64.5 t -60.68 -47.72 91.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.315 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.8 -41.57 87.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.253 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 38.7 mmt180 -62.66 -50.03 72.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.484 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.603 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.8 mp -64.17 -40.09 95.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.223 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -65.53 -23.28 66.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.503 -178.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -73.14 -38.31 66.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.386 0.613 . . . . 0.0 109.86 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' B' ' 32' ' ' GLY . 10.8 mp -75.46 -39.0 59.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.074 178.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.413 ' O ' HG13 ' B' ' 31' ' ' VAL . 12.2 t -87.09 29.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 122.381 1.086 . . . . 0.0 108.543 172.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' B' ' 30' ' ' LEU . . . -132.76 -16.95 1.23 Allowed Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.804 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.532 -179.476 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.738 -0.545 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -126.27 21.24 7.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.905 0.383 . . . . 0.0 110.99 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -30.09 70.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.073 -178.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 62.7 mttp -77.22 -4.94 47.32 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -99.6 -38.3 8.8 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.9 mp -60.99 -58.05 10.08 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 170.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.35 -37.54 81.03 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.698 -175.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -77.58 -40.27 42.83 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.418 -0.913 . . . . 0.0 112.213 -175.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -75.61 -39.13 58.37 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.585 -176.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 6' ' ' LEU . 29.4 t -67.19 -50.8 59.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.826 0.346 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . 46.0 mt-10 -68.62 -13.55 62.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.18 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.64 -46.37 72.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.4 mt -73.82 -24.35 59.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.411 175.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 23.8 tp -63.66 -33.31 75.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.25 0.548 . . . . 0.0 109.691 173.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.6 m -72.23 -35.02 68.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.659 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -67.71 -48.14 67.39 Favored 'General case' 0 C--O 1.208 -1.125 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.253 172.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 39.8 m-80 -53.33 -36.66 61.54 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -61.82 -58.13 9.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.372 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -68.28 -38.18 81.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.627 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 35.0 tp -68.4 -34.12 75.46 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 122.869 0.468 . . . . 0.0 110.681 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 1.4 tm-20 -75.41 -33.36 60.95 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -62.51 -37.18 85.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 173.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -67.86 -38.42 83.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.057 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.506 HG23 ' CD1' ' B' ' 20' ' ' LEU . 55.6 t -60.65 -48.17 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.704 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.09 -38.81 84.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.7 -55.09 39.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.099 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.645 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 6.0 mp -61.79 -38.96 90.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.361 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -58.56 -44.4 89.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.815 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -74.46 -15.43 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 110.778 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.45 -33.52 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.411 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.1 t -75.62 -29.67 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 170.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.82 -59.28 4.83 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.645 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.921 -0.562 . . . . 0.0 110.708 -177.331 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -125.91 21.16 7.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.95 0.405 . . . . 0.0 111.026 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -30.06 70.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.101 -178.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 62.9 mttp -77.33 -5.0 47.96 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.737 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -99.5 -38.37 8.81 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.62 ' O ' HG23 ' B' ' 10' ' ' VAL . 6.9 mp -61.0 -58.12 9.77 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 170.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.17 -37.66 80.82 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.757 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' B' ' 4' ' ' LYS . 0.6 OUTLIER -77.7 -39.73 43.69 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.39 -175.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -75.87 -39.22 56.94 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.421 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 6' ' ' LEU . 29.5 t -67.18 -50.56 62.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.846 0.355 . . . . 0.0 110.277 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.483 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 45.8 mt-10 -68.9 -13.52 62.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 -178.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.58 -46.26 73.18 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.957 -0.756 . . . . 0.0 108.957 173.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 57.9 mt -73.88 -24.11 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.469 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.483 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 23.8 tp -64.13 -32.94 74.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.349 0.595 . . . . 0.0 109.665 173.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.0 m -72.1 -35.3 69.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.616 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.408 ' HB3' ' OD1' ' A' ' 17' ' ' ASN . 3.1 mtmm -67.7 -47.94 67.96 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.334 172.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 39.6 m-80 -53.46 -37.04 62.27 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -61.4 -58.35 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.342 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -68.26 -37.92 81.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.439 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.627 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 35.1 tp -68.68 -33.92 74.79 Favored 'General case' 0 N--CA 1.438 -1.073 0 C-N-CA 122.807 0.443 . . . . 0.0 110.721 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 1.4 tm-20 -75.63 -33.02 60.46 Favored 'General case' 0 C--N 1.334 -0.089 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -62.64 -37.37 86.09 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -67.6 -38.54 84.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.117 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.507 HG23 ' CD1' ' A' ' 20' ' ' LEU . 55.5 t -60.71 -48.18 89.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.675 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.92 84.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -57.48 -55.02 40.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.139 175.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.645 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 6.0 mp -61.82 -39.0 90.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.389 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -58.57 -44.51 89.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.744 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -74.19 -16.01 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.708 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 69.3 mt -85.94 -33.63 21.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.308 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.71 -29.6 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 170.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.63 -60.11 4.48 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.438 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.512 -177.032 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 p -161.39 -54.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.553 0.215 . . . . 0.0 111.311 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 44.1 tpp -54.59 -52.64 61.52 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -171.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 45.1 mmtm -91.05 -9.37 46.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.753 0.311 . . . . 0.0 111.69 -175.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -98.49 -43.08 7.02 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.118 0.485 . . . . 0.0 109.999 -174.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.636 ' O ' HG21 ' A' ' 10' ' ' VAL . 65.2 mt -75.16 -41.08 58.89 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 3' ' ' MET . 27.5 mt-10 -63.8 -36.75 84.94 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.983 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -66.78 -24.75 66.23 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.881 176.761 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -76.15 -40.02 53.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.636 HG21 ' O ' ' A' ' 6' ' ' LEU . 6.6 t -61.41 -51.52 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.258 0.551 . . . . 0.0 110.134 177.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.21 -27.0 66.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.175 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.7 -45.13 91.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.4 -50.5 71.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.293 171.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tp -49.37 -32.39 11.33 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.745 0.653 . . . . 0.0 111.492 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.8 m -69.86 -47.18 63.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.501 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -30.28 48.58 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.166 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -54.78 -43.18 72.59 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 171.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -57.46 -50.69 72.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.237 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -70.24 -45.42 66.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.619 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.673 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 6.0 tp -61.82 -36.4 81.04 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.41 0.684 . . . . 0.0 111.344 -178.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.78 -37.86 58.82 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.812 -0.555 . . . . 0.0 110.161 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -68.3 -29.6 68.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.131 0.491 . . . . 0.0 109.819 174.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -65.52 -43.63 89.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.258 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.4 t -59.44 -45.12 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.128 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.72 87.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.392 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.6 -47.44 78.63 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.6 mp -62.06 -38.8 90.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.925 178.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -61.06 -24.59 66.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.755 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -77.73 -36.55 50.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.083 0.468 . . . . 0.0 110.271 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.32 -36.69 53.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.586 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.93 -23.99 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.7 -58.9 6.49 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.064 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.609 178.591 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.8 p -161.84 -55.1 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.644 0.222 . . . . 0.0 111.394 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' B' ' 7' ' ' GLU . 44.0 tpp -54.33 -52.72 60.65 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -171.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 45.3 mmtm -90.97 -9.42 46.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.846 0.355 . . . . 0.0 111.689 -175.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -98.53 -42.88 7.09 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.138 0.494 . . . . 0.0 110.062 -174.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.637 ' O ' HG21 ' B' ' 10' ' ' VAL . 64.8 mt -75.37 -40.89 57.6 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' B' ' 3' ' ' MET . 27.9 mt-10 -64.01 -36.75 85.02 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.964 175.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' B' ' 4' ' ' LYS . 0.2 OUTLIER -66.81 -24.71 66.2 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.761 176.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -76.33 -39.9 52.8 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.637 HG21 ' O ' ' B' ' 6' ' ' LEU . 6.4 t -61.59 -51.28 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 121.244 0.545 . . . . 0.0 110.091 177.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.3 -27.12 66.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.091 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.43 -45.57 90.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.15 -50.43 71.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.326 171.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tp -49.64 -31.91 11.9 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.658 0.599 . . . . 0.0 111.5 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.6 m -69.93 -47.42 62.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.46 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -30.52 48.42 Favored 'General case' 0 C--O 1.212 -0.899 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.031 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -54.73 -42.81 72.0 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -57.79 -50.72 72.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.112 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -70.14 -45.62 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.515 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.673 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 6.0 tp -61.72 -36.47 81.02 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.584 0.754 . . . . 0.0 111.366 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.79 -37.63 59.01 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.767 -0.583 . . . . 0.0 110.187 179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.87 -28.92 67.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.224 0.535 . . . . 0.0 109.875 175.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -65.79 -43.95 87.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.17 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 37.8 t -59.34 -45.16 93.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.143 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.75 87.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.379 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.5 -47.31 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.105 0.478 . . . . 0.0 109.736 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.7 mp -62.26 -38.85 90.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.985 177.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -60.59 -25.44 66.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.722 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -77.1 -36.53 55.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.937 0.399 . . . . 0.0 110.398 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.35 -36.76 53.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.485 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.94 -23.84 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.08 -58.35 6.79 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.168 176.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.706 178.433 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -142.69 -62.19 0.43 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.584 0.231 . . . . 0.0 110.832 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.2 mmm -53.76 -58.17 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.124 -173.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -83.93 -10.62 57.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.596 0.236 . . . . 0.0 111.509 -173.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 24.1 mm-40 -87.98 -45.42 10.23 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.647 ' O ' HG22 ' A' ' 10' ' ' VAL . 3.0 mm? -67.06 -42.35 84.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.278 -0.873 . . . . 0.0 108.692 172.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.81 -33.16 70.06 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.423 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 4.2 m-20 -56.4 -42.74 78.43 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.296 174.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -73.6 -38.19 65.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.077 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 6' ' ' LEU . 11.5 t -58.65 -55.25 24.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.937 0.398 . . . . 0.0 110.28 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.28 -20.9 63.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.824 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.47 -41.78 72.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.7 mt -71.53 -26.75 62.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.866 172.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 17' ' ' ASN . 17.3 tp -65.67 -26.69 67.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.909 175.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.4 m -71.06 -44.87 64.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.878 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.702 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 31.9 mtmm -68.18 -37.05 80.55 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.719 173.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.548 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 6.0 m-80 -52.53 -46.58 66.81 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 173.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -61.9 -48.61 79.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.478 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 26.9 m80 -66.9 -51.65 52.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.048 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 39.3 mt -57.78 -52.93 63.43 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.273 0.558 . . . . 0.0 110.068 -178.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 9.0 tt0 -57.52 -39.01 75.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.425 -177.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 6.0 m-20 -68.15 -41.88 80.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.671 175.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 11.6 mm-40 -62.33 -41.29 98.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.859 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.598 HG21 ' O ' ' A' ' 20' ' ' LEU . 37.0 t -60.35 -41.25 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.962 0.411 . . . . 0.0 110.026 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.56 92.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 35.6 mmt180 -60.72 -52.81 63.54 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.138 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.645 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 6.2 mp -61.89 -36.87 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.753 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.508 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -58.41 -40.69 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.253 0.549 . . . . 0.0 109.93 -179.383 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -76.62 -18.77 58.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.506 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 81.7 mt -89.12 -27.66 20.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.44 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 27' ' ' LEU . 57.9 t -73.03 -23.8 20.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 169.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.42 22.28 51.65 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.242 175.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--O 1.243 0.755 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.167 -177.66 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -142.02 -62.6 0.45 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.63 0.253 . . . . 0.0 110.807 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 92.8 mmm -53.4 -58.74 6.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.098 -173.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -83.48 -10.74 58.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.64 0.257 . . . . 0.0 111.63 -173.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 23.3 mm-40 -88.07 -44.88 10.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.419 0.628 . . . . 0.0 109.462 -178.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.637 ' O ' HG22 ' B' ' 10' ' ' VAL . 3.0 mm? -67.34 -42.38 83.63 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.714 172.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.98 -32.85 70.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.432 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' B' ' 5' ' ' GLN . 4.0 m-20 -56.76 -42.39 79.3 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.01 0.433 . . . . 0.0 110.313 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -73.54 -38.77 65.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.109 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.637 HG22 ' O ' ' B' ' 6' ' ' LEU . 11.5 t -58.3 -55.18 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-O 120.92 0.391 . . . . 0.0 110.218 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.35 -21.17 62.92 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.728 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.3 -41.79 72.88 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 mt -71.39 -26.84 62.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.938 172.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.475 ' HA ' ' HB2' ' B' ' 17' ' ' ASN . 17.3 tp -65.74 -26.7 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.343 0.592 . . . . 0.0 109.882 175.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 19.9 m -71.21 -44.48 65.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.962 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.708 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 32.0 mtmm -68.35 -36.99 80.05 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.76 173.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.534 ' OD1' ' HE2' ' A' ' 16' ' ' LYS . 6.0 m-80 -52.64 -46.67 67.21 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 173.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -61.78 -48.66 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.725 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.481 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 27.0 m80 -66.84 -51.68 52.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.01 -175.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 39.6 mt -57.9 -52.89 63.62 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.253 0.549 . . . . 0.0 110.095 -178.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 9.0 tt0 -57.51 -38.87 75.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.544 -177.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.577 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 5.9 m-20 -68.19 -41.92 80.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.76 175.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 11.9 mm-40 -62.12 -41.58 98.38 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.812 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.603 HG21 ' O ' ' B' ' 20' ' ' LEU . 36.8 t -60.18 -41.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.104 0.478 . . . . 0.0 110.056 177.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.82 91.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.933 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 35.4 mmt180 -60.52 -52.95 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.021 0.439 . . . . 0.0 110.075 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.645 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 6.2 mp -61.7 -36.76 81.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.737 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -58.66 -40.46 83.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.265 0.555 . . . . 0.0 109.895 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -77.1 -18.48 57.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 82.9 mt -89.06 -28.02 20.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.324 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.455 HG22 ' O ' ' B' ' 27' ' ' LEU . 58.0 t -72.86 -23.86 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 169.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.32 22.67 50.78 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.165 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.159 -177.809 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 CA-C-O 119.901 -0.388 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p 37.79 -89.72 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -47.52 -47.38 27.81 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.111 0.564 . . . . 0.0 112.48 -173.598 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.27 -16.26 61.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -173.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.3 -39.16 8.56 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.663 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.2 mm? -68.18 -48.6 64.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.154 175.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 3' ' ' MET . 0.9 OUTLIER -63.93 -35.83 81.97 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.156 178.236 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.33 -30.65 71.69 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.007 175.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -71.45 -43.42 66.7 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.909 HG22 HG22 ' B' ' 10' ' ' VAL . 8.0 t -62.13 -50.58 79.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.329 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -63.87 -29.46 70.65 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.345 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.15 -39.06 75.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.8 mt -68.77 -30.85 69.53 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.94 -27.39 68.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.954 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 18' ' ' TYR . 20.7 m -75.92 -44.71 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.597 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.662 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -73.63 -32.18 63.91 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.16 175.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 8.4 m-20 -56.45 -38.88 72.26 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 170.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.423 ' HB3' ' O ' ' A' ' 15' ' ' SER . 87.9 t80 -63.03 -46.66 86.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.222 174.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -65.19 -50.16 66.99 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.041 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 21.5 mt -56.65 -54.6 44.16 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.002 0.43 . . . . 0.0 110.151 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.5 OUTLIER -58.43 -41.6 85.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.751 -177.401 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.9 -40.18 94.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.311 . . . . 0.0 110.675 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -64.55 -41.61 96.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.959 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 20' ' ' LEU . 57.5 t -59.15 -46.31 92.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.217 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.09 91.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.346 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -65.31 -49.5 69.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.531 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.645 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.1 mp -61.57 -42.5 98.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.149 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' A' ' 28' ' ' LYS . 20.6 tptp -73.0 -9.67 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.021 -176.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -76.73 -38.0 55.05 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 172.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.41 -34.16 48.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.978 176.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 31' ' ' VAL . 15.6 t -91.97 32.2 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 122.412 1.101 . . . . 0.0 108.38 171.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.25 -55.84 0.06 OUTLIER Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.715 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.987 178.532 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 CA-C-O 119.957 -0.357 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.7 p 37.84 -89.55 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.933 1.293 . . . . 0.0 114.271 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' B' ' 7' ' ' GLU . 0.1 OUTLIER -47.56 -47.4 28.33 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.096 0.558 . . . . 0.0 112.483 -173.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.29 -16.17 61.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -173.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.33 -39.37 8.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -177.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.672 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.2 mm? -68.09 -48.51 65.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.194 175.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' B' ' 3' ' ' MET . 0.9 OUTLIER -64.02 -35.76 81.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.109 178.27 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -30.23 71.26 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.974 175.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -71.9 -43.3 65.6 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.909 HG22 HG22 ' A' ' 10' ' ' VAL . 7.7 t -62.23 -50.33 80.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.333 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -64.05 -29.5 70.64 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.385 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.09 -39.22 75.7 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.6 mt -68.57 -30.99 69.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.76 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.05 -27.02 68.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.031 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' B' ' 18' ' ' TYR . 24.8 m -76.26 -44.66 36.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.551 -178.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.663 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.2 OUTLIER -73.6 -32.4 64.08 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.148 175.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -56.18 -39.13 71.89 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 170.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' B' ' 15' ' ' SER . 87.8 t80 -62.92 -46.61 86.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.182 175.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -65.18 -50.2 66.85 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.999 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 21.3 mt -56.65 -54.89 40.87 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.02 0.438 . . . . 0.0 110.186 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.28 -41.28 83.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.787 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.06 -39.85 93.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.634 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.13 -41.42 94.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.857 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.597 HG23 ' O ' ' B' ' 20' ' ' LEU . 57.8 t -59.14 -46.27 92.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.301 176.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.49 91.34 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.229 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -65.22 -49.22 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.626 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.645 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.1 mp -61.72 -42.63 99.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.109 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' B' ' 28' ' ' LYS . 20.6 tptp -72.8 -9.72 58.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.786 0.326 . . . . 0.0 110.939 -176.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -76.71 -38.08 54.97 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 172.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.46 -34.15 47.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.103 176.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.421 ' O ' HG12 ' B' ' 31' ' ' VAL . 15.2 t -91.87 32.34 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 122.259 1.028 . . . . 0.0 108.329 171.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.46 -55.27 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.781 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.176 178.477 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 111.797 -0.521 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -110.05 -65.4 1.16 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.781 0.324 . . . . 0.0 111.073 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.0 mmm -49.09 -60.15 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.457 -172.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -68.84 -18.83 64.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -171.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 24.9 mt-30 -95.26 -43.92 7.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -175.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 10' ' ' VAL . 3.4 mm? -68.15 -46.14 71.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.455 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.48 -34.59 77.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.39 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.11 -32.25 73.58 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.822 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 96.7 mttt -72.57 -44.69 61.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.472 177.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.823 HG22 HG22 ' B' ' 10' ' ' VAL . 5.8 t -55.28 -55.08 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.122 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.73 -24.05 64.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.449 -175.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.66 -43.32 66.26 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.461 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 50.9 mt -66.27 -33.59 76.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.94 -30.27 70.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.548 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.4 m -69.61 -47.82 62.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.799 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.735 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 15.5 pttm -77.99 -32.51 51.26 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.337 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' B' ' 13' ' ' LEU . 3.5 m-20 -50.37 -46.76 56.2 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 171.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -58.63 -42.09 87.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.743 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -75.52 -40.49 56.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.785 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 12.4 mt -62.94 -45.68 91.32 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.51 -46.8 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.405 176.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -71.93 -36.42 69.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.718 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.37 -47.91 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.696 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 20' ' ' LEU . 61.6 t -59.71 -47.5 90.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.919 0.39 . . . . 0.0 110.437 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.07 81.02 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.524 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -69.71 -48.52 59.26 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.579 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.3 mp -60.43 -37.93 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -44.73 78.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.441 -178.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -80.29 -18.51 49.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.776 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.3 mt -82.07 -31.74 30.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.4 t -72.62 -28.55 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 170.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.69 29.97 8.86 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.48 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.0 -178.717 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -110.19 -65.27 1.17 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.732 0.301 . . . . 0.0 111.114 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 94.9 mmm -49.14 -60.03 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.587 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -69.05 -18.46 64.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.499 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 24.9 mt-30 -95.62 -43.68 7.82 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -175.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 3.4 mm? -68.18 -46.47 70.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.402 176.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.08 -34.87 77.11 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.42 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.15 -31.79 73.02 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.865 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 96.7 mttt -73.02 -45.06 59.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.25 176.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 10' ' ' VAL . 5.7 t -54.9 -55.12 17.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-O 121.236 0.541 . . . . 0.0 110.2 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.57 -24.2 64.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.509 -176.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -71.2 -44.24 65.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.48 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 50.9 mt -65.5 -33.85 76.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.479 174.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 tp -60.64 -30.12 69.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.497 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.1 m -70.11 -47.38 62.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.766 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.73 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 15.5 pttm -78.15 -32.64 50.4 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.299 176.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.461 ' ND2' ' HB3' ' A' ' 13' ' ' LEU . 3.6 m-20 -50.39 -46.73 56.38 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.287 0.565 . . . . 0.0 109.694 171.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -58.54 -42.41 87.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.672 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -75.44 -39.96 58.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.903 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 12.5 mt -63.23 -45.86 89.67 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 177.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -51.33 -47.35 62.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.35 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -71.42 -36.27 71.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.756 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.46 -47.93 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.715 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 20' ' ' LEU . 61.6 t -59.78 -47.65 90.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.452 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.86 80.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.612 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -69.8 -48.2 60.03 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.2 mp -60.68 -37.82 82.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.038 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -44.79 78.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.617 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -80.55 -17.86 50.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.778 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 67.4 mt -82.69 -31.42 28.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.75 -28.82 28.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 170.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.66 30.09 8.79 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.48 175.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.816 -0.612 . . . . 0.0 110.094 -178.703 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.805 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -113.45 12.34 18.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.067 0.461 . . . . 0.0 111.137 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -38.53 87.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.275 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 68.6 mttm -75.18 -4.96 41.87 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.507 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -97.84 -41.58 7.97 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.618 HD12 HD12 ' B' ' 6' ' ' LEU . 0.1 OUTLIER -57.27 -57.79 11.06 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 168.218 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.47 -34.32 68.9 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.507 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -77.22 -49.14 15.78 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 119.966 -0.694 . . . . 0.0 112.1 -177.748 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG2' HG11 ' B' ' 10' ' ' VAL . 86.1 tttt -73.99 -38.4 64.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.251 -173.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 6' ' ' LEU . 43.8 t -65.43 -51.18 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.094 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 41.3 tt0 -67.77 -16.82 64.3 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.706 -177.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.02 -44.58 84.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt -71.97 -28.5 63.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.145 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 15.4 tp -64.23 -28.74 69.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.397 0.618 . . . . 0.0 110.244 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t -67.14 -47.97 69.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.526 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.78 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 21.1 ptmt -74.61 -25.96 59.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.299 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.525 ' ND2' ' HG3' ' B' ' 16' ' ' LYS . 8.9 m120 -54.22 -47.58 72.0 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 168.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -62.23 -44.13 97.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.431 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.571 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 13.1 m80 -62.12 -52.87 62.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.527 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 21.4 mt -59.76 -45.49 92.07 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.73 -43.31 72.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.151 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -65.23 -40.81 94.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.334 . . . . 0.0 110.3 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 33.6 mm-40 -63.39 -47.4 82.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.735 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 20' ' ' LEU . 40.0 t -62.11 -44.55 99.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.312 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.21 86.72 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.214 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -59.48 -50.1 75.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.372 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.6 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.6 mp -63.36 -35.14 79.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.581 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.21 -38.12 79.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.591 0.234 . . . . 0.0 111.407 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.07 -27.02 61.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.266 0.555 . . . . 0.0 110.262 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.9 mt -85.38 -32.83 22.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.957 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -78.2 -28.5 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 171.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.32 -63.18 4.1 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.645 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.818 -177.726 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.9 p -114.03 12.39 17.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.983 0.42 . . . . 0.0 111.117 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -38.46 87.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.276 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 68.5 mttm -75.3 -4.85 41.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.547 177.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -97.76 -41.71 7.95 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.618 HD12 HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -57.22 -57.67 11.6 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 168.384 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -57.24 -34.72 68.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.488 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' B' ' 4' ' ' LYS . 0.2 OUTLIER -77.22 -49.12 15.8 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.101 -0.64 . . . . 0.0 112.207 -177.592 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.46 ' HG2' HG11 ' A' ' 10' ' ' VAL . 86.0 tttt -74.0 -38.37 64.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.163 -0.215 . . . . 0.0 111.255 -173.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 6' ' ' LEU . 43.2 t -65.41 -50.78 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.001 0.429 . . . . 0.0 110.212 179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 41.7 tt0 -68.06 -17.16 64.31 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.741 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -65.51 -44.73 86.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.404 ' HA ' ' HG2' ' B' ' 16' ' ' LYS . 51.9 mt -71.96 -28.49 63.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.201 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' B' ' 17' ' ' ASN . 15.4 tp -64.33 -28.61 69.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.497 0.665 . . . . 0.0 110.192 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t -67.37 -47.74 69.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.585 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.78 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 21.4 ptmt -74.83 -25.74 59.21 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.253 176.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.502 ' ND2' ' HG3' ' A' ' 16' ' ' LYS . 8.6 m120 -54.58 -47.19 73.62 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 168.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.46 -44.37 96.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.366 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.566 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 13.1 m80 -61.79 -53.08 60.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.568 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 21.4 mt -59.57 -45.42 91.91 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -54.75 -43.32 72.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.192 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.21 -40.64 94.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.9 0.381 . . . . 0.0 110.437 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 32.7 mm-40 -63.61 -47.17 82.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.689 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 20' ' ' LEU . 40.2 t -62.49 -44.4 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.244 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.2 86.86 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.273 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -59.11 -50.27 74.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.343 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.6 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.6 mp -63.38 -35.31 79.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.608 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -59.29 -37.63 78.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.617 0.246 . . . . 0.0 111.491 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.58 -26.73 60.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.273 0.559 . . . . 0.0 110.33 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -85.67 -32.47 21.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.951 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.45 -28.51 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 171.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.41 -63.15 4.1 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.701 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.909 -177.884 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 p -53.82 -41.07 66.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.53 ' HA ' ' CD1' ' B' ' 6' ' ' LEU . 84.3 mtp -55.24 -48.17 74.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -172.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -88.71 -23.17 23.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.729 0.299 . . . . 0.0 111.71 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.558 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 55.6 mt-30 -88.68 -40.0 13.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.518 -173.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' CD1' ' HA ' ' B' ' 3' ' ' MET . 33.6 mt -73.49 -38.45 65.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 175.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.22 -38.41 86.52 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.859 172.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -33.3 74.1 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.222 175.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 45.9 mmtm -67.15 -43.75 81.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.601 0.238 . . . . 0.0 110.461 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.624 HG22 HG22 ' B' ' 10' ' ' VAL . 3.0 t -58.54 -46.72 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.88 -27.63 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.134 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -42.81 73.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.4 -32.63 72.82 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.829 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.26 -26.18 68.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.091 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -73.39 -48.49 33.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.549 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HE2' ' CG ' ' B' ' 17' ' ' ASN . 14.6 pttm -74.76 -36.45 62.58 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.817 177.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.451 ' CG ' ' HE2' ' B' ' 16' ' ' LYS . 4.0 m-20 -52.77 -40.18 62.92 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 172.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.94 -52.31 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -70.83 -44.25 66.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.533 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.669 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 7.1 tp -65.2 -34.42 78.34 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 123.465 0.706 . . . . 0.0 111.693 -177.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -66.61 -36.01 81.56 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 121.848 -0.532 . . . . 0.0 110.245 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.427 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 5.4 m-20 -74.33 -30.64 62.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.186 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.69 -46.5 87.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.522 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.461 HG23 HG23 ' B' ' 24' ' ' VAL . 43.7 t -61.28 -42.95 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.1 176.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.1 83.12 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.549 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 75.1 mtp180 -61.13 -51.9 67.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.233 178.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.521 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.9 mp -57.98 -38.0 75.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.471 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -61.78 -26.62 68.2 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.412 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -78.0 -35.36 50.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.129 0.49 . . . . 0.0 110.591 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.5 -43.58 66.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.206 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -73.41 -26.69 22.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.465 0.65 . . . . 0.0 109.403 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.99 -29.3 70.82 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 114.912 -1.04 . . . . 0.0 113.19 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 122.883 0.473 . . . . 0.0 110.375 -179.399 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.7 p -54.97 -41.08 70.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.549 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 84.2 mtp -55.01 -48.15 73.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -172.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -88.59 -23.46 23.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.696 0.284 . . . . 0.0 111.712 -176.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 55.5 mt-30 -88.68 -39.78 13.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.48 -172.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.543 ' O ' HG23 ' B' ' 10' ' ' VAL . 33.2 mt -73.79 -38.24 64.69 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.33 -38.38 86.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.845 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -32.95 73.73 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.272 175.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 45.9 mmtm -67.32 -43.75 80.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 178.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.624 HG22 HG22 ' A' ' 10' ' ' VAL . 3.0 t -58.58 -46.62 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -64.76 -27.94 69.24 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.163 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.54 -42.91 73.99 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.37 -32.59 72.78 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 tp -63.25 -26.37 68.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.114 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.8 t -73.18 -48.91 31.28 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.475 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.451 ' HE2' ' CG ' ' A' ' 17' ' ' ASN . 14.4 pttm -74.36 -36.57 63.59 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 119.323 -0.951 . . . . 0.0 109.908 177.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.446 ' CG ' ' HE2' ' A' ' 16' ' ' LYS . 4.1 m-20 -52.69 -39.87 62.39 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 172.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -59.26 -52.65 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.469 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -70.53 -43.97 68.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.633 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.669 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 7.1 tp -65.4 -34.55 78.57 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.33 0.652 . . . . 0.0 111.585 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.33 -36.18 82.25 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.849 -0.532 . . . . 0.0 110.258 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 5.4 m-20 -74.15 -30.76 62.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.09 177.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.7 -46.21 89.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.63 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.461 HG23 HG23 ' A' ' 24' ' ' VAL . 43.8 t -61.33 -42.69 94.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 0.0 110.156 176.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.24 -45.48 83.9 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.433 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' B' ' 22' ' ' ASN . 74.9 mtp180 -60.64 -52.03 66.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.019 0.438 . . . . 0.0 110.3 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.9 mp -58.13 -38.08 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.338 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -61.67 -26.45 68.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.498 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -77.97 -35.84 49.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.119 0.485 . . . . 0.0 110.526 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mp -70.92 -43.59 67.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.32 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -73.72 -26.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.675 0.75 . . . . 0.0 109.376 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.7 -29.5 69.48 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 114.851 -1.068 . . . . 0.0 113.01 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 119.231 -0.414 . . . . 0.0 110.186 -179.269 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -114.21 -32.02 6.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.409 0.147 . . . . 0.0 111.331 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.9 mmm -54.02 -54.71 35.48 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -71.76 -10.93 60.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.781 0.324 . . . . 0.0 111.687 -175.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -96.37 -39.29 9.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -176.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.3 mm? -69.2 -45.37 70.07 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.025 172.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.32 -32.24 72.11 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.933 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.14 -39.83 87.69 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.699 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -72.78 -38.88 67.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.025 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.853 HG22 HG22 ' B' ' 10' ' ' VAL . 6.3 t -61.86 -50.04 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.031 0.443 . . . . 0.0 109.875 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . 42.5 mt-10 -69.18 -20.64 64.0 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.065 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.99 -48.45 65.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.454 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 63.6 mt -69.16 -28.58 66.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.829 175.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 18.6 tp -62.54 -32.22 73.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.439 175.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -71.41 -50.57 30.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.252 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.686 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -68.05 -31.49 71.18 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.254 176.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 4.7 m-20 -56.91 -41.25 77.8 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 171.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.47 -44.18 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.124 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -64.26 -51.95 61.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.554 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 18.9 mt -57.1 -53.83 53.59 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 120.855 0.359 . . . . 0.0 110.095 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.5 OUTLIER -54.54 -44.43 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.132 -177.493 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.4 -35.75 73.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 178.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' OE2' HG11 ' B' ' 24' ' ' VAL . 37.4 tt0 -68.4 -37.53 80.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.21 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 20' ' ' LEU . 91.6 t -59.13 -49.71 82.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.316 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.07 76.14 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.332 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -65.59 -53.4 42.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.57 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.684 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 2.1 mp -61.3 -42.21 98.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -70.51 -11.8 61.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.677 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -78.29 -34.72 48.65 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -80.86 -36.2 31.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.355 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.0 t -77.52 -16.11 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.717 0.77 . . . . 0.0 109.401 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.17 -69.5 1.36 Allowed Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.824 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.248 0.995 0 C-N-CA 122.869 0.468 . . . . 0.0 110.619 -179.294 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.991 -0.443 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.401 ' O ' HD23 ' B' ' 6' ' ' LEU . 4.5 p -113.73 -31.93 6.3 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.833 -0.216 . . . . 0.0 111.351 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 95.9 mmm -54.22 -54.62 37.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -71.68 -11.19 60.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.758 0.313 . . . . 0.0 111.561 -175.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -96.02 -39.32 9.81 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -176.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.624 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.3 mm? -69.41 -45.33 69.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.014 172.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -61.38 -32.13 72.04 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.966 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.34 -39.79 88.34 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.706 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -72.73 -38.88 67.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.027 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.853 HG22 HG22 ' A' ' 10' ' ' VAL . 6.1 t -61.67 -50.13 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.021 0.439 . . . . 0.0 109.941 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.412 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 42.5 mt-10 -69.22 -20.74 63.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.168 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.68 -48.51 66.39 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.459 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 64.0 mt -69.14 -28.7 66.68 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.945 175.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.412 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 18.8 tp -62.24 -32.76 73.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.487 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t -71.13 -50.22 35.86 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.407 -177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.693 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -68.21 -31.43 70.94 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.313 176.595 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 4.8 m-20 -56.68 -41.83 77.99 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 171.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.04 -44.18 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.087 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -64.27 -52.1 60.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.482 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 18.5 mt -56.86 -53.92 52.41 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 120.867 0.365 . . . . 0.0 110.058 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.517 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 0.4 OUTLIER -54.48 -44.41 72.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.087 -177.488 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -70.48 -35.74 73.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.881 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.49 -37.48 80.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.172 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 20' ' ' LEU . 89.2 t -59.25 -49.8 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.272 175.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.93 75.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.369 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -65.7 -53.21 44.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.598 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.684 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 2.1 mp -61.39 -42.11 98.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' B' ' 28' ' ' LYS . 19.8 tptm -70.36 -12.31 61.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.669 -177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -78.02 -34.88 50.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 175.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -80.7 -36.05 32.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.369 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.85 -15.78 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.688 0.756 . . . . 0.0 109.374 173.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.55 -69.54 1.35 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.839 -176.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.749 -179.351 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p -125.86 -56.97 1.45 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.766 0.283 . . . . 0.0 111.411 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.6 mmm -47.26 -57.73 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -171.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -67.64 -25.19 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 27.2 mp0 -87.47 -42.6 12.67 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -175.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.665 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.0 mm? -62.49 -48.22 80.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.851 173.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.02 -36.42 74.93 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.21 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.512 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 5.3 m-20 -59.11 -46.32 88.64 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.525 175.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 34.8 mmtp -61.23 -44.14 97.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.989 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.863 HG22 HG22 ' B' ' 10' ' ' VAL . 4.9 t -58.47 -49.47 82.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.313 0.577 . . . . 0.0 110.188 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.21 -30.02 67.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.722 -175.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 46.1 mt-10 -64.24 -45.92 86.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.989 0.423 . . . . 0.0 110.005 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.57 -35.99 82.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.481 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 12.3 tp -62.43 -31.97 72.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.821 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -73.12 -37.38 66.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.738 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.757 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 54.4 pttt -81.33 -29.77 34.05 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.508 175.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 8.4 m120 -50.56 -46.64 57.71 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 167.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -59.97 -62.41 1.89 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.043 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.62 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 74.7 m-70 -65.25 -41.96 93.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.857 -174.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.757 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 3.5 tp -67.11 -31.55 72.09 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.601 0.36 . . . . 0.0 110.538 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 4.3 mt-10 -63.67 -41.51 98.17 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 122.101 -0.374 . . . . 0.0 110.181 172.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -67.15 -32.13 73.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.685 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.62 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 11.1 mm-40 -60.85 -48.68 80.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.416 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.594 HG23 HG23 ' B' ' 24' ' ' VAL . 48.4 t -61.32 -43.49 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.128 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.23 78.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.249 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 26' ' ' ARG . 54.8 mtt180 -59.91 -60.22 4.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.508 177.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.664 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.6 mp -54.09 -39.82 66.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.636 -176.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.567 ' HD3' HD21 ' B' ' 27' ' ' LEU . 16.6 tptp -57.99 -40.02 79.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.733 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -75.2 -27.62 59.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.439 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -74.95 -33.57 61.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.671 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.8 t -73.39 -24.98 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 171.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.81 31.54 17.75 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 114.614 -1.176 . . . . 0.0 112.106 175.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 18.5 mm-40 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.513 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.3 p -126.03 -57.12 1.43 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.9 0.35 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 95.6 mmm -47.13 -57.81 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -171.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -67.65 -25.1 65.55 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 27.3 mp0 -87.7 -42.65 12.49 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -175.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.663 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.0 mm? -62.5 -48.19 80.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.948 173.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.03 -36.3 74.73 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.28 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.512 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 5.4 m-20 -59.38 -46.19 89.36 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.432 175.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 34.8 mmtp -61.12 -44.27 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.027 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.863 HG22 HG22 ' A' ' 10' ' ' VAL . 5.0 t -58.62 -49.07 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.26 0.553 . . . . 0.0 110.249 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -70.36 -30.13 66.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.752 -175.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 46.2 mt-10 -64.2 -45.92 86.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.059 0.457 . . . . 0.0 109.94 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.49 -35.98 82.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.544 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' B' ' 17' ' ' ASN . 12.3 tp -62.56 -31.68 72.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.837 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 8.1 t -73.27 -37.59 66.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.676 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.763 ' O ' ' HB3' ' B' ' 20' ' ' LEU . 54.4 pttt -81.3 -29.71 34.17 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 119.626 -0.83 . . . . 0.0 109.559 175.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 8.3 m120 -50.63 -46.45 58.27 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 167.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -60.28 -62.13 2.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.082 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.625 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 74.4 m-70 -65.41 -41.82 93.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.883 -174.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.763 ' HB3' ' O ' ' B' ' 16' ' ' LYS . 3.4 tp -67.21 -31.5 71.93 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.554 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 4.3 mt-10 -63.65 -41.64 98.21 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.182 172.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -67.21 -31.91 72.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 176.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.625 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 10.3 mm-40 -60.99 -48.62 80.98 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.405 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.594 HG23 HG23 ' A' ' 24' ' ' VAL . 47.8 t -61.3 -43.29 96.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.85 0.357 . . . . 0.0 110.15 177.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.37 -45.95 80.28 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.261 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' B' ' 26' ' ' ARG . 54.9 mtt180 -60.21 -60.01 4.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.497 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.664 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.7 mp -54.09 -39.73 66.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.574 -176.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.58 ' HD3' HD21 ' A' ' 27' ' ' LEU . 16.6 tptp -58.16 -40.02 80.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.638 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -75.37 -27.44 59.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.425 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mp -74.89 -33.71 62.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.668 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -73.1 -25.31 21.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 171.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.48 31.0 17.35 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.109 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' B' ' 28' ' ' LYS . 20.5 mm-40 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.413 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p -91.66 -22.91 20.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.734 0.267 . . . . 0.0 111.559 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -58.37 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.278 -172.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -84.63 -14.95 47.14 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.554 -172.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -87.24 -44.98 11.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.139 0.495 . . . . 0.0 109.674 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 10' ' ' VAL . 3.9 mm? -65.78 -46.41 78.83 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 173.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.82 -34.34 72.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.53 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.93 -43.94 81.96 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.802 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -72.78 -37.23 67.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.082 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.928 HG22 HG22 ' B' ' 10' ' ' VAL . 7.3 t -58.15 -53.01 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.359 0.6 . . . . 0.0 110.047 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.63 -17.56 59.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.274 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -76.56 -42.95 41.0 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 67.6 mt -66.73 -26.12 66.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.482 172.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 tp -67.15 -28.22 67.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.313 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.0 t -74.25 -45.03 50.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.061 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.714 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 20.2 ptmt -72.61 -32.4 65.91 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.308 175.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 5.4 m-20 -55.94 -41.34 74.48 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 171.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -63.26 -47.66 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.938 175.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -60.49 -50.74 72.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.395 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 24.9 mt -60.83 -53.61 55.21 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.01 0.433 . . . . 0.0 110.339 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 8.1 tt0 -55.38 -47.43 75.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.161 -176.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -68.26 -33.3 74.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.61 -41.54 88.25 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 20' ' ' LEU . 57.8 t -59.43 -48.44 87.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.285 176.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . -58.58 -38.49 78.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.185 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -65.3 -52.66 52.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.482 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.1 mp -61.27 -37.23 82.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.098 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -62.94 -28.39 70.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.834 -178.146 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 35.2 mmtp -72.81 -34.75 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.951 0.405 . . . . 0.0 110.566 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.1 -31.21 61.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.209 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.2 t -96.63 32.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 122.071 0.939 . . . . 0.0 108.48 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.58 -52.75 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.296 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.415 -0.802 . . . . 0.0 110.231 179.555 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p -92.97 -22.86 18.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.768 0.284 . . . . 0.0 111.37 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -58.2 8.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.157 -173.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -84.8 -14.7 47.32 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.477 -172.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -87.41 -45.19 10.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.242 0.544 . . . . 0.0 109.628 -175.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.632 ' O ' HG23 ' B' ' 10' ' ' VAL . 3.9 mm? -65.72 -46.44 78.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 173.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.82 -34.26 72.84 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.548 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.91 -43.75 81.68 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.9 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -72.88 -37.5 67.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.142 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 10' ' ' VAL . 7.5 t -57.89 -53.11 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 121.384 0.612 . . . . 0.0 110.018 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -75.74 -17.38 59.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.238 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -76.52 -43.01 41.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.69 -25.99 66.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 tp -67.65 -27.76 67.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.231 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -74.34 -45.39 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.13 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.719 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 20.0 ptmt -72.59 -32.19 65.79 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.205 175.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 5.4 m-20 -56.1 -41.49 75.31 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 171.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -63.1 -47.71 81.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.876 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -60.36 -50.89 71.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.478 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 25.1 mt -60.68 -53.64 54.95 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.04 0.448 . . . . 0.0 110.356 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 8.4 tt0 -55.47 -47.2 76.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.26 -176.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -68.36 -33.34 74.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.55 -41.42 88.7 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.208 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 20' ' ' LEU . 57.8 t -59.34 -48.63 86.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.262 176.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' ' 29' ' ' LYS . . . -58.42 -38.78 78.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.014 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -65.12 -52.25 56.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.552 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.1 mp -61.76 -37.28 83.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.129 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.507 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -62.85 -28.17 69.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.916 -178.265 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' B' ' 25' ' ' ALA . 35.1 mmtp -72.91 -34.87 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.456 177.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.07 -31.13 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.165 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 t -96.44 32.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 122.152 0.977 . . . . 0.0 108.461 171.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.26 -52.87 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.109 -0.951 . . . . 0.0 112.254 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.221 179.599 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' HD23 ' A' ' 6' ' ' LEU . 12.9 p -135.13 -61.87 0.73 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.848 0.324 . . . . 0.0 111.068 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.7 mmt -53.78 -48.2 70.01 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -173.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.43 -21.01 58.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.686 0.279 . . . . 0.0 111.463 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 25.8 mt-30 -89.22 -37.08 15.26 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.0 mm? -67.09 -42.4 84.69 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.33 -34.09 74.68 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.306 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 13.3 m-20 -55.51 -38.76 69.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.811 174.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -71.86 -46.29 58.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.432 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.787 HG22 HG22 ' B' ' 10' ' ' VAL . 7.6 t -57.97 -55.12 23.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.627 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.01 -22.03 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.246 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.31 -46.39 77.05 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.469 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 71.0 mt -67.29 -34.02 76.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.747 175.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.06 -32.08 70.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.573 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -70.92 -46.34 62.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.958 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.714 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 63.4 pttt -77.87 -30.69 51.0 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.256 177.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.475 ' ND2' ' HB3' ' B' ' 13' ' ' LEU . 4.4 m-20 -53.38 -44.96 69.03 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 170.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -58.47 -38.99 78.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.831 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -79.82 -45.12 19.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.789 -176.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 17.6 mt -58.68 -52.97 63.41 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.146 0.498 . . . . 0.0 109.877 178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -56.52 -41.01 76.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.093 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -74.46 -35.1 63.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.729 0.299 . . . . 0.0 110.821 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.27 -43.46 97.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.922 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 20' ' ' LEU . 93.0 t -58.69 -46.54 90.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.689 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.45 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.809 -175.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 16.7 ptp180 -66.78 -35.36 79.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.746 0.308 . . . . 0.0 110.945 -178.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.607 HD21 ' HG2' ' B' ' 28' ' ' LYS . 1.4 mp -61.92 -44.62 96.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.514 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.632 ' HG2' HD21 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -69.41 -12.41 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.506 179.182 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.537 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -77.1 -38.77 51.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.729 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.5 -35.38 53.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.934 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 t -89.32 32.33 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 122.282 1.039 . . . . 0.0 108.234 171.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.39 -59.34 0.1 OUTLIER Glycine 0 N--CA 1.441 -0.985 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.467 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.64 176.476 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.425 ' O ' HD23 ' B' ' 6' ' ' LEU . 12.4 p -135.34 -61.67 0.73 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.654 0.227 . . . . 0.0 111.177 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.9 mmt -54.2 -48.55 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -172.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -75.08 -21.11 59.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.794 0.33 . . . . 0.0 111.511 -175.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 25.9 mt-30 -88.91 -37.17 15.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.283 0.563 . . . . 0.0 109.588 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.573 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.0 mm? -67.0 -42.48 84.94 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 170.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.19 -34.19 74.68 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.393 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' B' ' 5' ' ' GLN . 12.7 m-20 -55.48 -38.67 69.44 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.739 174.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -71.85 -46.53 57.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.443 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.787 HG22 HG22 ' A' ' 10' ' ' VAL . 7.5 t -57.68 -55.29 22.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.58 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -69.05 -21.72 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.136 -175.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -66.63 -46.16 76.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.475 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 70.8 mt -67.47 -34.01 76.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.724 175.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -60.08 -32.29 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.541 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 55.2 m -70.89 -45.79 63.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.134 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.72 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 63.3 pttt -78.31 -30.52 48.37 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.243 177.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 13' ' ' LEU . 4.3 m-20 -53.39 -45.28 69.22 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 170.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -58.18 -38.78 77.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.92 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -80.11 -45.03 18.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.697 -176.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 17.8 mt -58.7 -52.85 63.94 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.096 0.474 . . . . 0.0 109.852 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.52 -41.02 76.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.223 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -74.15 -35.65 64.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.331 . . . . 0.0 110.757 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.8 -43.46 98.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.066 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 20' ' ' LEU . 90.5 t -58.74 -46.56 90.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.607 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.09 -52.77 63.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.83 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' B' ' 29' ' ' LYS . 16.7 ptp180 -66.64 -35.2 79.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.955 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.632 HD21 ' HG2' ' A' ' 28' ' ' LYS . 1.4 mp -62.14 -44.74 95.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.932 0.396 . . . . 0.0 110.447 175.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.607 ' HG2' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -69.04 -13.08 62.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.524 179.234 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.55 ' HA ' ' HE3' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -76.57 -38.69 54.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.306 0.574 . . . . 0.0 109.487 174.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.73 -35.14 52.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.938 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 t -89.43 32.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.243 1.021 . . . . 0.0 108.355 171.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.03 -58.87 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.362 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.722 -0.656 . . . . 0.0 109.839 176.425 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 p -83.94 -33.1 24.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.863 0.332 . . . . 0.0 111.535 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.2 mmm -55.11 -48.11 74.07 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -173.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -78.2 -23.91 47.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -86.05 -38.92 17.34 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.113 0.482 . . . . 0.0 109.817 -175.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.0 mm? -66.84 -42.56 85.56 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.08 -35.5 78.84 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.427 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.73 -33.98 72.35 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.44 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -76.54 -40.17 50.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.456 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.898 HG22 HG22 ' B' ' 10' ' ' VAL . 10.2 t -61.44 -48.06 90.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.377 0.608 . . . . 0.0 109.737 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . 1.1 tm-20 -70.12 -18.96 63.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.364 -178.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.65 -41.58 79.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.31 -52.53 46.35 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 169.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.434 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 8.0 tp -49.83 -33.81 17.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.228 -0.897 . . . . 0.0 112.387 -176.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p -75.72 -42.08 51.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.113 -178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -75.65 -31.34 59.77 Favored 'General case' 0 C--O 1.213 -0.849 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.182 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.73 -42.56 75.53 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 171.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -52.19 -47.2 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.24 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -79.65 -44.05 21.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.495 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.646 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 3.7 tp -64.46 -37.48 87.7 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.389 0.676 . . . . 0.0 111.287 -177.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -72.97 -34.77 66.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.943 -0.473 . . . . 0.0 110.085 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -73.4 -28.39 61.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.297 174.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.82 -45.94 90.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.124 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.569 HG23 HG23 ' B' ' 24' ' ' VAL . 54.9 t -62.12 -48.0 90.5 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.118 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.206 176.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.91 -43.23 69.56 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.482 ' O ' HD13 ' A' ' 30' ' ' LEU . 69.0 ttt180 -60.32 -58.15 9.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.117 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.63 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.2 mp -59.28 -35.14 73.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.598 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -25.08 67.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.783 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -86.55 -38.17 17.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.211 0.529 . . . . 0.0 109.926 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.762 ' HB3' HG21 ' B' ' 31' ' ' VAL . 10.1 mp -61.48 -50.56 72.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.703 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.763 HG21 ' HB3' ' B' ' 30' ' ' LEU . 8.2 p -87.97 -9.11 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.422 0.629 . . . . 0.0 109.875 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.35 -54.98 7.21 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.204 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.031 178.798 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p -83.37 -33.57 25.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.719 0.259 . . . . 0.0 111.486 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 96.1 mmm -54.94 -47.94 73.82 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -78.31 -24.11 46.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -85.83 -39.03 17.5 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.096 0.474 . . . . 0.0 109.83 -175.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.628 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.0 mm? -66.86 -42.65 85.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.89 -35.66 79.01 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.46 174.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -59.76 -33.61 71.89 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.398 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -76.99 -39.46 50.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.657 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.898 HG22 HG22 ' A' ' 10' ' ' VAL . 9.8 t -61.84 -48.34 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.245 0.545 . . . . 0.0 109.662 176.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.436 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 1.1 tm-20 -70.03 -19.18 63.32 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.287 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.39 -41.57 80.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.41 -52.33 47.69 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 170.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.436 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 8.0 tp -49.76 -34.36 18.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.27 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p -75.36 -41.99 55.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.193 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -75.62 -31.31 59.82 Favored 'General case' 0 C--O 1.213 -0.817 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.227 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.88 -42.41 75.88 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 171.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -52.31 -47.32 66.03 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.214 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -79.43 -44.53 21.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.361 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.646 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 3.8 tp -64.04 -37.49 87.63 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.351 0.66 . . . . 0.0 111.368 -177.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -72.82 -34.61 66.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.9 -0.5 . . . . 0.0 110.244 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -73.93 -28.36 61.48 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.293 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -62.6 -46.16 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.164 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.569 HG23 HG23 ' A' ' 24' ' ' VAL . 54.9 t -61.95 -47.93 90.92 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.226 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.56 70.11 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.484 ' O ' HD13 ' B' ' 30' ' ' LEU . 68.9 ttt180 -60.86 -57.92 10.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.207 176.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.63 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.2 mp -59.39 -35.19 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.59 -177.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -25.69 68.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.751 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -85.81 -38.57 18.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.088 0.471 . . . . 0.0 109.945 175.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.763 ' HB3' HG21 ' A' ' 31' ' ' VAL . 10.1 mp -61.22 -50.39 73.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.685 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.762 HG21 ' HB3' ' A' ' 30' ' ' LEU . 8.2 p -88.41 -8.65 10.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.579 0.704 . . . . 0.0 109.875 176.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.79 -54.84 6.93 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.068 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.015 178.845 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p -157.88 -35.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.568 0.223 . . . . 0.0 111.219 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.7 mmt -50.7 -51.36 50.35 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -73.37 -10.2 59.5 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.716 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 52.8 mt-30 -95.15 -44.91 7.42 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.1 mm? -67.01 -44.26 80.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.3 175.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.74 -32.51 73.65 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.571 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.21 -37.86 84.52 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.604 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.0 mmmt -66.89 -43.56 83.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.529 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.809 HG22 HG22 ' B' ' 10' ' ' VAL . 5.7 t -62.96 -51.89 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.713 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.66 -21.44 62.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.739 -175.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.39 -44.71 74.51 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 56.7 mt -68.88 -29.24 67.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.821 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.19 -35.33 79.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.457 176.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 t -70.5 -46.44 63.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.628 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.692 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -70.7 -33.01 70.43 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.125 177.068 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 7.6 m-20 -56.43 -45.61 80.67 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 170.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -58.7 -39.51 80.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.557 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -74.69 -49.17 22.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.577 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 23.5 mt -56.67 -52.98 62.84 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.092 0.472 . . . . 0.0 110.176 178.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.5 OUTLIER -54.46 -43.69 71.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.163 -176.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 30.3 m-80 -76.3 -30.36 57.7 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.069 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' OE2' HG11 ' B' ' 24' ' ' VAL . 38.4 tt0 -66.63 -37.73 85.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 20' ' ' LEU . 98.0 t -61.68 -44.47 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.046 174.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.15 83.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.304 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.579 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 36.4 mmt180 -63.2 -55.7 22.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.168 177.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 6.3 mp -60.5 -37.56 81.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.707 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.549 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -63.04 -29.52 70.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.04 0.448 . . . . 0.0 110.376 -177.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -84.58 -26.83 27.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.123 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 89.8 mt -78.31 -39.48 39.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.282 -176.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' B' ' 30' ' ' LEU . 10.4 p -81.21 -10.32 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.861 0.839 . . . . 0.0 109.751 175.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.78 55.02 5.58 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.492 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.679 179.89 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.8 p -157.62 -35.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.526 0.203 . . . . 0.0 111.223 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.6 mmt -50.72 -51.36 50.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -73.5 -10.17 59.45 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.728 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 52.5 mt-30 -95.11 -44.77 7.5 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.568 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.2 mm? -67.08 -44.4 80.17 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.317 175.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -62.63 -32.61 73.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.527 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.08 -37.75 83.81 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.601 174.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 32.0 mmmt -67.26 -43.46 81.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.635 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.809 HG22 HG22 ' A' ' 10' ' ' VAL . 5.6 t -62.8 -52.11 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.719 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.62 -21.0 62.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.863 -175.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -68.86 -44.53 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.43 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 57.5 mt -69.07 -28.94 66.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.857 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.13 -35.77 81.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.442 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.2 t -70.23 -46.68 63.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.559 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.698 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.1 OUTLIER -70.35 -32.99 70.93 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.354 176.763 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 7.7 m-20 -56.53 -45.68 81.03 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 170.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -58.72 -39.43 80.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.606 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -74.79 -49.04 22.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.669 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 23.7 mt -56.61 -53.11 61.4 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.04 0.448 . . . . 0.0 110.104 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 0.5 OUTLIER -54.14 -43.96 70.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.214 -177.043 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 30.3 m-80 -76.24 -30.42 57.88 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.085 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.53 -37.95 86.12 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 20' ' ' LEU . 96.8 t -61.62 -44.43 98.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.001 174.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.15 83.08 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.176 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.582 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 36.5 mmt180 -63.47 -55.61 22.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.208 177.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 6.3 mp -60.41 -37.64 81.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.651 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.548 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 0.3 OUTLIER -62.93 -29.64 70.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 110.459 -177.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -84.48 -26.87 27.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.261 0.553 . . . . 0.0 110.1 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 89.6 mt -78.12 -39.55 40.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.387 -176.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 30' ' ' LEU . 10.5 p -80.94 -11.02 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.856 0.836 . . . . 0.0 109.77 174.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.59 54.26 5.56 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.657 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.698 -179.862 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p -131.55 -12.09 3.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.636 0.255 . . . . 0.0 111.597 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.8 mmm -57.53 -56.64 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.015 -170.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -70.55 -20.92 62.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -173.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -38.14 16.71 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 10' ' ' VAL . 3.9 mm? -65.63 -46.82 77.78 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.01 172.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 46.3 mt-10 -59.43 -33.51 71.34 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.793 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 6.3 m-20 -56.28 -40.14 73.8 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.686 174.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.48 -42.01 62.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.722 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.783 HG22 HG22 ' B' ' 10' ' ' VAL . 12.7 t -57.12 -59.07 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.478 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 12.7 pt-20 -70.47 -15.82 62.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.36 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -68.63 -43.78 75.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.306 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.2 -29.31 62.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.089 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 16.6 tp -63.63 -34.58 78.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.191 175.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -66.83 -36.45 82.38 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.179 -0.918 . . . . 0.0 108.88 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 41.5 mtmt -69.37 -41.82 76.03 Favored 'General case' 0 C--O 1.206 -1.214 0 C-N-CA 120.012 -0.675 . . . . 0.0 109.521 173.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -54.61 -38.02 66.3 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -64.89 -63.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.662 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 66.7 m80 -66.08 -39.35 89.97 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.145 -174.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.606 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 36.8 tp -70.09 -33.69 72.2 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 123.037 0.535 . . . . 0.0 110.5 -176.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' HB2' HD21 ' B' ' 20' ' ' LEU . 30.1 tt0 -75.91 -31.28 59.1 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -61.72 -32.22 72.43 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 15.7 mm-40 -69.47 -50.45 45.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.787 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.561 HG21 HD12 ' B' ' 20' ' ' LEU . 91.1 t -55.51 -50.79 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.263 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.72 -41.83 82.56 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.409 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.571 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER -66.37 -51.38 57.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.248 179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.653 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 2.7 mp -60.11 -42.96 95.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.069 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.56 -25.69 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.25 -175.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -72.73 -38.85 67.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.39 -32.7 60.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.592 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.7 t -73.24 -24.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 171.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.29 -51.58 51.44 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.423 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.351 -179.863 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.5 p -131.12 -11.98 3.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.658 0.266 . . . . 0.0 111.592 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.401 ' O ' ' HG3' ' B' ' 7' ' ' GLU . 97.3 mmm -57.61 -56.64 19.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.14 -170.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -70.58 -20.94 62.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.24 -38.09 16.64 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.599 ' O ' HG23 ' B' ' 10' ' ' VAL . 3.9 mm? -65.57 -46.74 78.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.028 172.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 46.3 mt-10 -59.66 -33.41 71.52 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.867 175.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 6.3 m-20 -56.57 -39.51 73.6 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.655 174.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.88 -41.94 61.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.783 HG22 HG22 ' A' ' 10' ' ' VAL . 12.8 t -57.17 -59.18 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.45 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 12.8 pt-20 -70.38 -16.08 62.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.305 -175.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' B' ' 8' ' ' ASP . 0.2 OUTLIER -68.4 -43.77 76.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.219 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 78.0 mt -73.08 -29.4 62.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.14 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.452 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 16.6 tp -63.44 -34.92 78.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.151 175.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -66.39 -36.68 83.45 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.932 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -69.26 -41.96 76.22 Favored 'General case' 0 C--O 1.204 -1.317 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.515 173.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -54.69 -37.74 66.17 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -65.07 -63.16 1.17 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.695 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.544 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 67.3 m80 -66.01 -39.4 90.23 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -174.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.606 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 36.5 tp -70.0 -33.76 72.45 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.089 0.555 . . . . 0.0 110.507 -176.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.488 ' HB2' HD21 ' A' ' 20' ' ' LEU . 30.0 tt0 -75.78 -31.47 59.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -61.34 -32.5 72.39 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 17.0 mm-40 -69.35 -50.62 44.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.776 175.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.565 HG21 HD12 ' A' ' 20' ' ' LEU . 89.7 t -55.33 -50.85 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.274 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.2 82.6 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.437 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.568 ' HA ' ' HE ' ' B' ' 26' ' ' ARG . 1.1 tpm_? -66.17 -51.41 58.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.165 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.653 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 2.6 mp -59.99 -42.68 94.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.131 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' HD3' HD21 ' A' ' 27' ' ' LEU . 21.8 tptp -64.16 -24.88 67.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.237 -175.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -73.21 -39.16 65.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.104 0.478 . . . . 0.0 110.372 175.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.13 -33.0 61.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.488 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -73.29 -24.06 20.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 171.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.55 -52.23 44.98 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.42 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.191 -179.865 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 112.238 -0.345 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 p -55.7 -41.95 74.5 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.6 mmt -56.79 -48.45 77.89 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.478 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -73.94 -13.9 60.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 79.7 mt-30 -95.79 -43.48 7.85 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -177.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.543 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 4.2 mm? -69.37 -45.34 69.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.837 175.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.04 -29.7 70.1 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.68 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -29.74 70.72 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.986 173.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 64.0 mttm -74.75 -43.0 57.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.953 0.406 . . . . 0.0 110.09 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.737 HG22 HG22 ' B' ' 10' ' ' VAL . 8.4 t -60.16 -56.33 18.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.444 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.79 -19.11 64.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.057 -176.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.1 -46.1 75.22 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 79.8 mt -69.99 -26.14 63.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.05 175.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 tp -66.96 -34.23 77.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.999 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 18' ' ' TYR . 32.3 t -72.15 -41.64 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.332 -177.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 19.7 ptmt -73.34 -36.93 66.26 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.478 175.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 8.0 m-20 -54.81 -38.2 67.06 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 171.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.45 ' HB3' ' O ' ' A' ' 15' ' ' SER . 89.2 t80 -61.42 -53.97 49.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.538 176.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.564 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 40.4 m80 -73.08 -34.28 66.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.697 -176.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.714 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 28.4 tp -68.57 -32.91 73.16 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 122.782 0.433 . . . . 0.0 110.038 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -70.9 -35.66 72.41 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.157 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 14.6 m120 -57.48 -42.16 82.09 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 7.8 mm-40 -61.81 -47.75 83.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.354 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.529 HG21 HD12 ' B' ' 20' ' ' LEU . 89.6 t -60.17 -48.1 89.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 178.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.12 87.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.596 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -67.02 -45.22 78.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.2 mp -62.47 -38.86 91.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -60.56 -27.26 67.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.374 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -73.81 -37.11 65.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.229 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mp -79.07 -42.11 27.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.171 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.8 t -73.17 -25.05 21.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.812 0.815 . . . . 0.0 109.263 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.35 -54.9 11.3 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.87 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.707 -0.664 . . . . 0.0 110.692 -178.353 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.6 p -55.79 -41.52 74.23 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 122.492 0.317 . . . . 0.0 111.683 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.6 mmt -56.98 -48.73 77.71 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.418 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -73.69 -13.85 61.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -176.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.542 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 79.8 mt-30 -95.93 -43.38 7.84 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 4.2 mm? -69.43 -45.49 69.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.726 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.83 -30.05 70.61 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.66 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -29.56 70.56 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.923 173.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 64.2 mttm -74.93 -42.74 57.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 10' ' ' VAL . 9.2 t -60.3 -56.55 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.417 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.53 -18.91 64.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.164 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.16 -46.17 74.82 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.494 ' HA ' ' HG2' ' B' ' 16' ' ' LYS . 79.8 mt -70.06 -26.06 63.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.089 175.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -66.97 -34.31 77.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.009 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' B' ' 18' ' ' TYR . 29.6 t -72.39 -41.38 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.34 -177.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.494 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 19.5 ptmt -73.49 -36.66 65.83 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.513 175.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 8.0 m-20 -54.94 -38.21 67.43 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 171.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' B' ' 15' ' ' SER . 89.0 t80 -61.45 -53.58 54.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.604 176.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.566 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 40.0 m80 -73.64 -34.41 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.609 -176.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.714 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 29.7 tp -68.45 -32.92 73.28 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 122.745 0.418 . . . . 0.0 109.967 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 0.7 OUTLIER -71.02 -35.17 71.93 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.107 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' B' ' 19' ' ' HIS . 14.8 m120 -57.81 -42.33 84.03 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 173.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 7.6 mm-40 -61.58 -47.84 83.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.407 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 20' ' ' LEU . 90.2 t -60.15 -48.11 89.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.77 87.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.652 -175.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -67.28 -45.01 77.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.2 mp -62.82 -38.89 92.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.695 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.401 ' HG2' HD21 ' A' ' 27' ' ' LEU . 61.5 mmtt -60.51 -27.48 67.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.485 178.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -73.55 -37.52 65.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.063 0.459 . . . . 0.0 110.267 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.65 -41.91 30.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.233 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -73.19 -25.63 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.719 0.771 . . . . 0.0 109.157 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.61 -55.81 11.07 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 114.787 -1.097 . . . . 0.0 112.687 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.532 -178.364 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 p -136.72 -35.17 0.73 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.79 -0.241 . . . . 0.0 111.221 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -59.83 4.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.639 -174.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' HG3' ' NE2' ' A' ' 5' ' ' GLN . 9.8 ptpp? -85.98 -6.0 59.13 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.139 -176.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.439 ' NE2' ' HG3' ' A' ' 4' ' ' LYS . 1.8 mp0 -84.31 -48.33 9.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.441 0.639 . . . . 0.0 109.298 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.0 mm? -67.3 -44.2 79.84 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.767 174.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.57 -33.88 73.35 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.747 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 1.3 m-20 -57.22 -43.58 82.98 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.305 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -69.73 -39.46 76.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.704 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.985 HG22 HG22 ' B' ' 10' ' ' VAL . 9.6 t -60.1 -49.25 84.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.009 0.433 . . . . 0.0 110.018 178.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.27 -31.06 72.12 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.308 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 43.2 mt-10 -66.01 -42.8 89.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 110.232 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 mt -70.25 -30.02 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.0 174.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.4 -30.94 71.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.486 0.66 . . . . 0.0 109.851 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.9 m -74.42 -38.98 62.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.003 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.71 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 51.5 mtmt -69.9 -34.75 73.94 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.441 173.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.602 ' OD1' ' HE3' ' B' ' 16' ' ' LYS . 7.5 m-80 -59.15 -36.27 74.96 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -64.95 -51.39 62.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.233 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -63.4 -54.87 29.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.765 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 27.8 mt -58.65 -56.68 19.06 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 120.972 0.415 . . . . 0.0 110.559 -176.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HB2' HD13 ' B' ' 20' ' ' LEU . 12.6 tt0 -58.07 -38.61 76.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.058 -175.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -70.94 -34.18 71.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.584 0.23 . . . . 0.0 110.717 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -41.12 79.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.694 177.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 20' ' ' LEU . 45.7 t -58.54 -49.01 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.543 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -60.62 -41.81 95.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.062 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -63.29 -51.69 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.147 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.8 mp -61.29 -37.07 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -63.64 -26.52 68.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.964 -178.528 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 25' ' ' ALA . 67.6 mttm -73.51 -35.64 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.078 0.466 . . . . 0.0 110.327 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.55 -36.97 65.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.648 177.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.417 ' O ' HG12 ' A' ' 31' ' ' VAL . 12.3 t -89.42 26.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 122.269 1.033 . . . . 0.0 108.668 172.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -116.08 -38.32 0.96 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.078 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.505 -0.759 . . . . 0.0 109.501 175.786 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.0 p -136.78 -35.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.578 0.228 . . . . 0.0 111.125 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -60.11 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.657 -174.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.442 ' HG3' ' NE2' ' B' ' 5' ' ' GLN . 9.7 ptpp? -85.95 -5.64 59.19 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 120.762 0.315 . . . . 0.0 111.144 -175.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.442 ' NE2' ' HG3' ' B' ' 4' ' ' LYS . 1.8 mp0 -84.62 -48.08 9.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.655 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.0 mm? -67.41 -44.31 79.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.739 174.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.63 -33.78 73.3 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.66 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 1.2 m-20 -57.26 -43.35 82.93 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.29 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -69.88 -39.48 76.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.708 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.985 HG22 HG22 ' A' ' 10' ' ' VAL . 10.2 t -60.02 -49.11 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 121.226 0.536 . . . . 0.0 109.979 178.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.51 -31.16 72.24 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.238 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 43.1 mt-10 -65.93 -42.88 89.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.863 0.363 . . . . 0.0 110.185 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 57.4 mt -70.38 -29.92 66.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.942 175.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.35 -30.94 71.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.359 0.6 . . . . 0.0 109.766 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 32.4 m -74.27 -39.35 63.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.019 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.71 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 51.4 mtmt -69.71 -34.69 74.24 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.423 173.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.616 ' OD1' ' HE3' ' A' ' 16' ' ' LYS . 7.5 m-80 -59.07 -36.55 75.27 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -64.69 -51.46 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.176 174.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -63.45 -54.87 29.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.754 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 27.9 mt -58.71 -56.59 20.24 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 120.947 0.403 . . . . 0.0 110.579 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.411 ' HB2' HD13 ' A' ' 20' ' ' LEU . 13.0 tt0 -58.32 -38.17 76.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.1 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -71.01 -34.31 71.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.547 0.213 . . . . 0.0 110.733 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -40.87 78.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.673 177.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 20' ' ' LEU . 45.0 t -58.71 -49.1 83.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.971 0.415 . . . . 0.0 110.004 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -60.36 -41.88 94.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.106 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -63.34 -51.8 64.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.023 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.8 mp -61.2 -37.24 82.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -63.39 -26.47 68.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -178.708 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 25' ' ' ALA . 67.7 mttm -73.53 -35.77 65.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 0.0 110.331 177.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -73.5 -36.65 65.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.749 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.419 ' O ' HG12 ' B' ' 31' ' ' VAL . 12.3 t -89.61 25.96 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 122.267 1.032 . . . . 0.0 108.587 171.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -116.62 -37.45 0.99 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.17 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.519 -0.753 . . . . 0.0 109.765 175.461 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 p -127.5 -12.1 5.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.621 0.21 . . . . 0.0 111.397 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.8 mmt -57.82 -56.81 17.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.31 -173.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -72.46 -20.59 61.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.518 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -87.18 -45.84 10.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.126 0.489 . . . . 0.0 109.989 -174.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 10' ' ' VAL . 3.9 mm? -66.44 -43.07 86.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.02 -30.0 70.95 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.648 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.28 -43.05 82.78 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.491 173.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.23 -41.22 81.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.96 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.828 HG22 HG22 ' B' ' 10' ' ' VAL . 7.5 t -59.54 -52.44 60.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.133 0.492 . . . . 0.0 110.046 178.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . 44.8 tt0 -69.46 -20.82 63.75 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.194 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.53 -39.29 70.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.482 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 60.6 mt -74.3 -24.26 59.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.131 172.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 19.7 tp -69.16 -37.09 78.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.9 p -74.34 -34.38 63.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.981 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.696 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -76.36 -32.14 58.45 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.793 173.219 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' B' ' 13' ' ' LEU . 11.5 m-20 -57.11 -39.12 74.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 171.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.24 -47.68 83.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.9 173.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.506 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 21.4 t-80 -60.1 -52.87 63.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.419 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 20.2 mt -59.25 -51.3 70.57 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.862 0.363 . . . . 0.0 110.227 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 4.0 mt-10 -52.94 -44.28 66.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.241 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -67.89 -35.84 79.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 23.7 mm-40 -65.83 -46.07 79.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.579 177.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 20' ' ' LEU . 32.1 t -61.44 -45.26 99.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.235 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.33 88.14 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.364 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 4.2 mmp_? -66.09 -48.5 70.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.731 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.555 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.7 mp -61.24 -37.95 84.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' HG2' HD21 ' B' ' 27' ' ' LEU . 49.4 mmtt -60.48 -28.64 68.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.341 177.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -72.4 -36.35 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.817 0.341 . . . . 0.0 110.577 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -78.38 -39.07 40.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -76.24 -25.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.687 0.756 . . . . 0.0 109.209 174.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.48 -63.06 2.71 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 114.804 -1.089 . . . . 0.0 112.77 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.541 -176.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.3 p -127.08 -12.16 5.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.589 0.233 . . . . 0.0 111.552 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 29.0 mmt -57.89 -56.5 21.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.531 -173.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -72.98 -20.36 61.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.332 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -87.14 -45.97 10.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.149 0.5 . . . . 0.0 110.018 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.569 ' O ' HG23 ' B' ' 10' ' ' VAL . 3.9 mm? -66.56 -43.03 86.16 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.91 -29.82 70.79 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.727 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.27 -43.49 83.14 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.498 173.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -67.86 -41.07 83.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.991 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.828 HG22 HG22 ' A' ' 10' ' ' VAL . 8.0 t -59.78 -52.48 60.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.093 0.473 . . . . 0.0 109.919 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.428 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 44.8 tt0 -69.19 -21.0 63.99 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.352 -177.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.31 -39.34 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.459 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 60.9 mt -74.41 -24.26 59.08 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.114 172.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.428 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 19.6 tp -69.03 -36.98 78.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.95 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.6 p -74.18 -34.75 63.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.7 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.4 OUTLIER -76.2 -32.1 58.8 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.844 173.288 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.482 ' ND2' ' HB3' ' A' ' 13' ' ' LEU . 11.8 m-20 -57.2 -38.77 74.18 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 171.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.47 -47.75 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.836 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.498 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 21.4 t-80 -59.94 -52.95 63.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.382 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 20.1 mt -59.09 -51.43 70.07 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.872 0.368 . . . . 0.0 110.226 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 3.9 mt-10 -52.85 -44.32 66.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.17 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.07 -35.59 78.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 24.1 mm-40 -66.08 -45.94 79.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.59 177.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 20' ' ' LEU . 32.0 t -61.56 -45.28 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.189 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.34 88.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.455 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.548 ' HA ' ' NE ' ' B' ' 26' ' ' ARG . 4.3 mmp_? -65.82 -48.86 70.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.714 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.8 mp -61.11 -37.67 83.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.225 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.509 ' HG2' HD21 ' A' ' 27' ' ' LEU . 49.7 mmtt -60.62 -28.8 68.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.286 177.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -72.26 -36.48 69.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.751 0.31 . . . . 0.0 110.671 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -78.1 -39.82 40.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.969 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.3 t -75.54 -25.08 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.574 0.702 . . . . 0.0 109.202 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.49 -62.55 2.85 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.892 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.872 -176.703 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.797 -0.521 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 p -95.24 -66.78 0.89 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -177.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -40.29 -60.24 1.12 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -169.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -16.48 58.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.541 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 27.2 mp0 -99.45 -41.98 7.15 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -174.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 10' ' ' VAL . 61.9 mt -69.03 -46.08 68.83 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.158 176.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.97 -32.82 74.73 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.0 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -57.69 -46.46 84.29 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.398 173.346 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 95.9 mttt -59.97 -44.38 94.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.829 HG22 HG22 ' B' ' 10' ' ' VAL . 5.3 t -57.64 -54.03 36.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.611 -178.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -68.68 -29.15 67.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.72 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 46.0 mt-10 -65.25 -43.85 90.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 0.0 110.11 176.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.66 -25.58 63.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.007 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.73 -36.57 80.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.935 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.5 m -69.89 -36.38 75.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.601 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.697 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 22.6 mtpp -68.22 -38.18 81.62 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.849 172.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.589 ' OD1' ' HE3' ' B' ' 16' ' ' LYS . 7.8 m-80 -59.14 -38.51 79.84 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -61.05 -53.5 56.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.762 174.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -59.6 -53.36 58.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.719 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 24.5 mt -59.86 -56.87 16.42 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.824 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -58.59 -39.89 81.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.912 -176.126 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -67.84 -36.15 79.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.379 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.85 -40.85 83.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.178 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 20' ' ' LEU . 58.6 t -58.33 -49.87 80.48 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.884 176.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -58.9 -38.2 78.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.265 -178.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -66.51 -52.17 48.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.127 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.2 mp -60.34 -36.96 79.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -64.31 -25.47 68.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.922 -178.584 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 25' ' ' ALA . 62.4 mttp -78.06 -32.87 51.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.911 0.386 . . . . 0.0 110.519 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.23 -36.51 69.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.28 0.562 . . . . 0.0 109.523 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 t -91.58 31.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.185 0.993 . . . . 0.0 108.539 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.23 -54.09 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.991 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.889 -0.577 . . . . 0.0 109.934 178.681 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -95.02 -67.1 0.87 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -40.01 -60.25 1.07 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -169.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -16.32 58.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -169.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 27.3 mp0 -99.53 -42.07 7.08 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -174.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.609 ' O ' HG23 ' B' ' 10' ' ' VAL . 61.6 mt -68.95 -46.09 69.06 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.87 -33.18 75.39 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.852 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 0.9 OUTLIER -57.53 -46.1 84.23 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.535 173.483 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 96.0 mttt -60.27 -44.23 95.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 10' ' ' VAL . 5.1 t -57.84 -54.08 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.579 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -68.47 -29.34 67.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.65 -174.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 46.0 mt-10 -65.3 -43.52 90.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.937 0.399 . . . . 0.0 110.101 176.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.92 -25.75 63.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.914 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.49 -36.81 81.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.878 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 20.4 m -69.91 -35.93 74.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.772 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.704 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 22.7 mtpp -68.79 -37.87 79.59 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.707 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.576 ' OD1' ' HE3' ' A' ' 16' ' ' LYS . 7.6 m-80 -59.16 -38.93 80.91 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 174.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -60.65 -53.61 55.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.806 174.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -59.56 -53.28 59.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.687 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 24.3 mt -59.95 -56.76 17.77 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 120.78 0.324 . . . . 0.0 110.739 -178.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 0.4 OUTLIER -58.66 -39.89 81.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.848 -175.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -67.81 -35.96 79.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.388 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -68.06 -41.0 82.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.166 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 20' ' ' LEU . 59.1 t -58.24 -49.73 80.81 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 CA-C-O 120.963 0.411 . . . . 0.0 110.012 175.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -59.08 -38.23 78.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.249 -178.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -66.46 -52.27 48.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.222 178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.2 mp -60.2 -37.18 79.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.942 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -64.1 -25.74 68.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 -178.49 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' B' ' 25' ' ' ALA . 62.5 mttp -77.69 -32.98 53.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.555 177.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.44 -35.8 68.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.157 0.503 . . . . 0.0 109.698 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.2 t -92.15 31.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 122.33 1.062 . . . . 0.0 108.547 171.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.11 -54.26 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.883 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.485 -0.769 . . . . 0.0 109.78 178.597 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 3.7 p -110.24 -35.9 5.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.708 0.254 . . . . 0.0 111.47 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.49 ' HA ' ' CD1' ' B' ' 6' ' ' LEU . 83.8 mtp -58.0 -53.67 55.58 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -170.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -82.38 -11.51 58.52 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.877 0.37 . . . . 0.0 111.192 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -95.76 -44.91 7.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.048 0.451 . . . . 0.0 109.837 -173.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 10' ' ' VAL . 21.1 mt -72.04 -37.14 69.77 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.65 -37.34 85.99 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.118 173.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.39 -32.9 73.78 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.949 175.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -70.2 -42.13 72.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.156 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.847 HG22 HG22 ' B' ' 10' ' ' VAL . 5.8 t -60.48 -48.99 86.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.342 0.591 . . . . 0.0 110.096 178.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -67.53 -26.66 66.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.785 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.03 -37.57 81.54 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.6 mt -64.6 -45.83 85.26 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 170.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HA ' ' HB2' ' A' ' 17' ' ' ASN . 2.9 tp -57.44 -22.09 41.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.075 0.464 . . . . 0.0 111.168 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -71.62 -47.07 57.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.076 176.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HD2' ' ND2' ' B' ' 17' ' ' ASN . 0.1 OUTLIER -77.44 -31.72 54.09 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.696 177.054 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.464 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . 5.7 m-20 -58.42 -37.41 75.31 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 171.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -60.72 -51.35 69.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.101 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -66.91 -46.39 74.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.744 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.657 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 6.9 tp -66.24 -35.11 79.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.384 0.674 . . . . 0.0 111.921 -177.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.77 -43.57 83.68 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.84 -0.537 . . . . 0.0 110.605 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 33.9 m-80 -69.91 -30.19 67.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.457 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.482 ' O ' HD13 ' A' ' 27' ' ' LEU . 37.5 tt0 -62.37 -45.35 93.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.094 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.539 HG23 HG23 ' B' ' 24' ' ' VAL . 24.6 t -60.26 -46.41 94.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.496 175.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.4 -44.58 76.32 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.649 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 98.4 mtt180 -61.29 -55.56 30.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 2.4 mp -58.39 -42.88 88.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.059 -178.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -61.09 -40.53 94.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.872 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -74.54 -21.91 59.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.597 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 82.4 mt -83.19 -31.68 26.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.316 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 27' ' ' LEU . 53.9 t -73.31 -28.26 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 170.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 26.57 19.86 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.247 175.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--O 1.244 0.794 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.248 -178.023 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 3.9 p -109.61 -35.7 6.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.476 0.179 . . . . 0.0 111.477 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.499 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 83.6 mtp -58.0 -53.93 52.68 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -170.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -81.91 -12.16 58.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.941 0.4 . . . . 0.0 111.232 -174.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -95.02 -45.42 7.25 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -173.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.62 ' O ' HG23 ' B' ' 10' ' ' VAL . 21.7 mt -71.6 -37.37 70.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.54 -37.43 86.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.081 173.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.52 -32.43 73.36 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.015 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -70.63 -41.96 71.51 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.847 HG22 HG22 ' A' ' 10' ' ' VAL . 5.7 t -60.32 -49.1 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.393 0.616 . . . . 0.0 110.152 178.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.49 -26.49 66.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.821 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.29 -37.48 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 13' ' ' LEU . 29.4 mt -64.74 -45.49 86.23 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 170.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.461 ' HA ' ' HB2' ' B' ' 17' ' ' ASN . 3.0 tp -57.54 -22.55 45.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.06 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.1 t -71.47 -46.92 58.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.949 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.41 -31.51 54.11 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.947 176.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.461 ' HB2' ' HA ' ' B' ' 14' ' ' LEU . 5.7 m-20 -58.73 -37.22 75.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 171.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -60.7 -51.51 69.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.085 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.82 -46.04 76.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.732 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.657 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 6.9 tp -66.76 -34.92 78.9 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.282 0.633 . . . . 0.0 111.855 -176.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.83 -43.34 84.0 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.792 -0.568 . . . . 0.0 110.605 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 35.4 m-80 -70.24 -29.98 66.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.996 0.427 . . . . 0.0 110.358 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.482 ' O ' HD13 ' B' ' 27' ' ' LEU . 37.6 tt0 -62.53 -45.18 94.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.063 176.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.539 HG23 HG23 ' A' ' 24' ' ' VAL . 24.5 t -60.62 -46.32 95.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.439 175.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.73 76.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.4 -177.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.491 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 98.4 mtt180 -61.27 -55.43 32.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.505 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 2.4 mp -58.54 -42.83 88.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.995 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -61.16 -40.59 94.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.887 -176.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -74.25 -22.31 59.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.67 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 80.9 mt -82.84 -31.99 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.331 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 27' ' ' LEU . 56.4 t -72.97 -28.43 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 170.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.94 26.8 18.26 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.157 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.158 -178.149 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 p -106.58 -52.03 2.85 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.85 -0.206 . . . . 0.0 111.387 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 32.7 mmt -55.75 -60.26 3.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -173.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -10.64 59.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -171.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 83.5 mm-40 -98.21 -44.87 6.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.17 0.51 . . . . 0.0 109.626 -176.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.3 mm? -68.17 -46.27 71.18 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.28 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 45.7 mt-10 -62.84 -35.03 78.59 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.656 177.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.661 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.23 -48.46 81.66 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.441 175.018 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 74.7 mmtt -60.35 -40.57 91.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.567 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.794 HG22 HG22 ' B' ' 10' ' ' VAL . 16.9 t -57.18 -49.31 80.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.245 0.545 . . . . 0.0 109.799 177.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 8.0 mm-40 -73.07 -18.92 61.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.332 -176.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 13.6 mm-40 -71.03 -39.97 72.02 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 176.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.6 mt -70.67 -29.5 65.83 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 172.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 14.2 tp -64.77 -27.64 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.296 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -71.05 -41.88 70.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.992 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.804 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 21.8 ptmt -78.38 -25.46 46.26 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.809 175.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.602 ' ND2' ' HG3' ' B' ' 16' ' ' LYS . 9.3 m120 -54.12 -48.43 70.77 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 167.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.22 -41.74 96.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.437 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -62.62 -49.25 75.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.241 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 25.0 mt -64.93 -45.36 86.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -53.07 -46.96 68.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.149 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.488 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 92.0 m-20 -62.97 -41.48 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.55 176.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.15 -44.82 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.846 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 20' ' ' LEU . 65.5 t -60.32 -47.85 90.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.312 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.3 86.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.281 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 38.9 mmt180 -62.94 -49.78 73.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 110.446 178.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.8 mp -64.61 -39.75 94.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.23 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -65.97 -23.07 66.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.542 -178.569 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -73.08 -38.31 66.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.263 0.554 . . . . 0.0 109.824 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.61 -38.47 59.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.303 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 31' ' ' VAL . 12.9 t -87.61 29.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 122.356 1.074 . . . . 0.0 108.435 172.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.73 -16.88 1.24 Allowed Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.861 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.54 -179.11 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p -106.46 -52.16 2.83 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.779 -0.248 . . . . 0.0 111.413 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 32.5 mmt -55.53 -60.51 3.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -10.68 59.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -171.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 83.6 mm-40 -98.29 -44.88 6.38 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -176.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.674 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.3 mm? -68.2 -46.35 70.87 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.305 175.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 45.0 mt-10 -62.63 -35.2 78.83 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.666 177.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.664 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 0.5 OUTLIER -60.16 -48.38 81.96 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.513 175.124 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 74.7 mmtt -60.3 -40.81 91.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.572 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 10' ' ' VAL . 16.7 t -56.93 -49.43 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.385 0.612 . . . . 0.0 109.788 177.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 8.3 mm-40 -73.06 -18.94 61.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.353 -176.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' B' ' 8' ' ' ASP . 11.9 mm-40 -71.19 -39.6 71.7 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.054 0.454 . . . . 0.0 109.832 176.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 mt -70.94 -29.48 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 172.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.474 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 14.2 tp -64.8 -27.72 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.249 175.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 19.0 m -70.99 -41.7 70.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.821 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.807 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 21.9 ptmt -78.55 -25.17 45.37 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.771 175.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.596 ' ND2' ' HG3' ' A' ' 16' ' ' LYS . 9.0 m120 -54.47 -48.6 71.59 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 167.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -63.82 -41.81 97.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.595 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -62.69 -49.36 75.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.297 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 25.4 mt -64.82 -45.49 85.98 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -52.71 -47.34 67.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.159 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.491 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 92.0 m-20 -62.87 -41.23 99.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.43 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -66.37 -44.46 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.879 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 20' ' ' LEU . 64.5 t -60.68 -47.72 91.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.315 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.8 -41.57 87.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.253 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 38.7 mmt180 -62.66 -50.03 72.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.484 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.8 mp -64.17 -40.09 95.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.223 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -65.53 -23.28 66.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.503 -178.579 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -73.14 -38.31 66.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.386 0.613 . . . . 0.0 109.86 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.46 -39.0 59.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.074 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.415 ' O ' HG12 ' B' ' 31' ' ' VAL . 12.2 t -87.09 29.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 122.381 1.086 . . . . 0.0 108.543 172.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.76 -16.95 1.23 Allowed Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.804 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.532 -179.476 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.738 -0.545 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -126.27 21.24 7.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.905 0.383 . . . . 0.0 110.99 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -30.09 70.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.073 -178.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 62.7 mttp -77.22 -4.94 47.32 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 14.9 mm-40 -99.6 -38.3 8.8 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.9 mp -60.99 -58.05 10.08 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 170.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.35 -37.54 81.03 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.698 -175.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.532 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -77.58 -40.27 42.83 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.418 -0.913 . . . . 0.0 112.213 -175.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -75.61 -39.13 58.37 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.585 -176.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 6' ' ' LEU . 29.4 t -67.19 -50.8 59.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.826 0.346 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . 46.0 mt-10 -68.62 -13.55 62.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.18 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.64 -46.37 72.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD12 HG12 ' B' ' 10' ' ' VAL . 58.4 mt -73.82 -24.35 59.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.411 175.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 23.8 tp -63.66 -33.31 75.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.25 0.548 . . . . 0.0 109.691 173.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.6 m -72.23 -35.02 68.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.659 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HB3' ' OD1' ' B' ' 17' ' ' ASN . 3.1 mtmm -67.71 -48.14 67.39 Favored 'General case' 0 C--O 1.208 -1.125 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.253 172.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 39.8 m-80 -53.33 -36.66 61.54 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -61.82 -58.13 9.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.372 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -68.28 -38.18 81.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.671 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 35.0 tp -68.4 -34.12 75.46 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 122.869 0.468 . . . . 0.0 110.681 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 1.4 tm-20 -75.41 -33.36 60.95 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.51 -37.18 85.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 173.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -67.86 -38.42 83.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.057 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.536 HG21 ' CD1' ' B' ' 20' ' ' LEU . 55.6 t -60.65 -48.17 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.704 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.09 -38.81 84.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.7 -55.09 39.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.099 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.71 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 6.0 mp -61.79 -38.96 90.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.361 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -58.56 -44.4 89.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.815 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -74.46 -15.43 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 110.778 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 27' ' ' LEU . 69.4 mt -86.45 -33.52 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.411 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.1 t -75.62 -29.67 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 170.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.82 -59.28 4.83 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.645 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.921 -0.562 . . . . 0.0 110.708 -177.331 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -125.91 21.16 7.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.95 0.405 . . . . 0.0 111.026 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -30.06 70.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.101 -178.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 62.9 mttp -77.33 -5.0 47.96 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.737 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -99.5 -38.37 8.81 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.659 ' O ' HG23 ' B' ' 10' ' ' VAL . 6.9 mp -61.0 -58.12 9.77 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 170.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.17 -37.66 80.82 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.757 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.536 ' HB2' ' O ' ' B' ' 4' ' ' LYS . 0.6 OUTLIER -77.7 -39.73 43.69 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.39 -175.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -75.87 -39.22 56.94 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.421 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.659 HG23 ' O ' ' B' ' 6' ' ' LEU . 29.5 t -67.18 -50.56 62.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.846 0.355 . . . . 0.0 110.277 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.491 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 45.8 mt-10 -68.9 -13.52 62.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 -178.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.58 -46.26 73.18 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.957 -0.756 . . . . 0.0 108.957 173.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.417 HD12 HG12 ' A' ' 10' ' ' VAL . 57.9 mt -73.88 -24.11 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.469 175.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.491 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 23.8 tp -64.13 -32.94 74.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.349 0.595 . . . . 0.0 109.665 173.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.0 m -72.1 -35.3 69.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.616 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.442 ' HB3' ' OD1' ' A' ' 17' ' ' ASN . 3.1 mtmm -67.7 -47.94 67.96 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.334 172.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.469 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 39.6 m-80 -53.46 -37.04 62.27 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -61.4 -58.35 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.342 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -68.26 -37.92 81.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.439 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.671 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 35.1 tp -68.68 -33.92 74.79 Favored 'General case' 0 N--CA 1.438 -1.073 0 C-N-CA 122.807 0.443 . . . . 0.0 110.721 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 1.4 tm-20 -75.63 -33.02 60.46 Favored 'General case' 0 C--N 1.334 -0.089 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.64 -37.37 86.09 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -67.6 -38.54 84.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.117 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.538 HG21 ' CD1' ' A' ' 20' ' ' LEU . 55.5 t -60.71 -48.18 89.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.675 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.92 84.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -57.48 -55.02 40.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.139 175.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.71 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 6.0 mp -61.82 -39.0 90.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.389 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -58.57 -44.51 89.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.744 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -74.19 -16.01 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.708 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 27' ' ' LEU . 69.3 mt -85.94 -33.63 21.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.308 179.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.71 -29.6 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 170.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.63 -60.11 4.48 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.438 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.512 -177.032 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 p -161.39 -54.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.553 0.215 . . . . 0.0 111.311 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 44.1 tpp -54.59 -52.64 61.52 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -171.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 45.1 mmtm -91.05 -9.37 46.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.753 0.311 . . . . 0.0 111.69 -175.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -98.49 -43.08 7.02 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.118 0.485 . . . . 0.0 109.999 -174.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 10' ' ' VAL . 65.2 mt -75.16 -41.08 58.89 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.433 ' HG3' HD13 ' B' ' 6' ' ' LEU . 27.5 mt-10 -63.8 -36.75 84.94 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.983 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -66.78 -24.75 66.23 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.881 176.761 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -76.15 -40.02 53.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.848 HG22 HG22 ' B' ' 10' ' ' VAL . 6.6 t -61.41 -51.52 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.258 0.551 . . . . 0.0 110.134 177.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.21 -27.0 66.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.175 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.7 -45.13 91.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.4 -50.5 71.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.293 171.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tp -49.37 -32.39 11.33 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.745 0.653 . . . . 0.0 111.492 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.8 m -69.86 -47.18 63.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.501 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -30.28 48.58 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.166 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -54.78 -43.18 72.59 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 171.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -57.46 -50.69 72.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.237 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -70.24 -45.42 66.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.619 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.645 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 6.0 tp -61.82 -36.4 81.04 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.41 0.684 . . . . 0.0 111.344 -178.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.78 -37.86 58.82 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.812 -0.555 . . . . 0.0 110.161 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -68.3 -29.6 68.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.131 0.491 . . . . 0.0 109.819 174.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -65.52 -43.63 89.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.258 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 HG23 ' B' ' 24' ' ' VAL . 37.4 t -59.44 -45.12 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.128 174.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.72 87.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.392 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.6 -47.44 78.63 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.513 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.6 mp -62.06 -38.8 90.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.925 178.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HG2' HD21 ' B' ' 27' ' ' LEU . 27.0 mmtp -61.06 -24.59 66.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.755 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -77.73 -36.55 50.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.083 0.468 . . . . 0.0 110.271 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.32 -36.69 53.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.586 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.93 -23.99 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.7 -58.9 6.49 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.064 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.609 178.591 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.8 p -161.84 -55.1 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.644 0.222 . . . . 0.0 111.394 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' B' ' 7' ' ' GLU . 44.0 tpp -54.33 -52.72 60.65 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -171.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 45.3 mmtm -90.97 -9.42 46.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.846 0.355 . . . . 0.0 111.689 -175.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -98.53 -42.88 7.09 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.138 0.494 . . . . 0.0 110.062 -174.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.606 ' O ' HG23 ' B' ' 10' ' ' VAL . 64.8 mt -75.37 -40.89 57.6 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.435 ' HG3' HD13 ' A' ' 6' ' ' LEU . 27.9 mt-10 -64.01 -36.75 85.02 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.964 175.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' B' ' 4' ' ' LYS . 0.2 OUTLIER -66.81 -24.71 66.2 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.761 176.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -76.33 -39.9 52.8 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.848 HG22 HG22 ' A' ' 10' ' ' VAL . 6.4 t -61.59 -51.28 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 121.244 0.545 . . . . 0.0 110.091 177.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.3 -27.12 66.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.091 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.43 -45.57 90.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.15 -50.43 71.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.326 171.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tp -49.64 -31.91 11.9 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.658 0.599 . . . . 0.0 111.5 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.6 m -69.93 -47.42 62.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.46 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -30.52 48.42 Favored 'General case' 0 C--O 1.212 -0.899 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.031 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -54.73 -42.81 72.0 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -57.79 -50.72 72.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.112 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -70.14 -45.62 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.515 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.645 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 6.0 tp -61.72 -36.47 81.02 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.584 0.754 . . . . 0.0 111.366 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.79 -37.63 59.01 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.767 -0.583 . . . . 0.0 110.187 179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.87 -28.92 67.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.224 0.535 . . . . 0.0 109.875 175.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -65.79 -43.95 87.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.17 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.437 HG23 HG23 ' A' ' 24' ' ' VAL . 37.8 t -59.34 -45.16 93.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.143 174.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.75 87.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.379 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.5 -47.31 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.105 0.478 . . . . 0.0 109.736 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.7 mp -62.26 -38.85 90.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.985 177.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' HG2' HD21 ' A' ' 27' ' ' LEU . 27.0 mmtp -60.59 -25.44 66.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.722 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -77.1 -36.53 55.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.937 0.399 . . . . 0.0 110.398 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.35 -36.76 53.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.485 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.94 -23.84 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.08 -58.35 6.79 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.168 176.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.706 178.433 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -142.69 -62.19 0.43 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.584 0.231 . . . . 0.0 110.832 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.2 mmm -53.76 -58.17 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.124 -173.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -83.93 -10.62 57.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.596 0.236 . . . . 0.0 111.509 -173.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 24.1 mm-40 -87.98 -45.42 10.23 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.618 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 3.0 mm? -67.06 -42.35 84.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.278 -0.873 . . . . 0.0 108.692 172.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.81 -33.16 70.06 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.423 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 4.2 m-20 -56.4 -42.74 78.43 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.296 174.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -73.6 -38.19 65.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.077 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.872 HG22 HG22 ' B' ' 10' ' ' VAL . 11.5 t -58.65 -55.25 24.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.937 0.398 . . . . 0.0 110.28 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.28 -20.9 63.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.824 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.47 -41.78 72.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.7 mt -71.53 -26.75 62.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.866 172.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 17' ' ' ASN . 17.3 tp -65.67 -26.69 67.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.909 175.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.4 m -71.06 -44.87 64.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.878 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.718 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 31.9 mtmm -68.18 -37.05 80.55 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.719 173.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.559 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 6.0 m-80 -52.53 -46.58 66.81 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 173.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -61.9 -48.61 79.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.488 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 26.9 m80 -66.9 -51.65 52.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.048 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 39.3 mt -57.78 -52.93 63.43 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.273 0.558 . . . . 0.0 110.068 -178.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 9.0 tt0 -57.52 -39.01 75.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.425 -177.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.592 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 6.0 m-20 -68.15 -41.88 80.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.671 175.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 11.6 mm-40 -62.33 -41.29 98.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.859 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 20' ' ' LEU . 37.0 t -60.35 -41.25 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.962 0.411 . . . . 0.0 110.026 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.56 92.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.592 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 35.6 mmt180 -60.72 -52.81 63.54 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.138 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.699 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 6.2 mp -61.89 -36.87 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.753 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -58.41 -40.69 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.253 0.549 . . . . 0.0 109.93 -179.383 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -76.62 -18.77 58.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.506 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 81.7 mt -89.12 -27.66 20.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.44 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' LEU . 57.9 t -73.03 -23.8 20.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 169.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.42 22.28 51.65 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.242 175.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--O 1.243 0.755 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.167 -177.66 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -142.02 -62.6 0.45 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.63 0.253 . . . . 0.0 110.807 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 92.8 mmm -53.4 -58.74 6.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.098 -173.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -83.48 -10.74 58.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.64 0.257 . . . . 0.0 111.63 -173.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 23.3 mm-40 -88.07 -44.88 10.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.419 0.628 . . . . 0.0 109.462 -178.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 3.0 mm? -67.34 -42.38 83.63 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.714 172.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.98 -32.85 70.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.432 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' B' ' 5' ' ' GLN . 4.0 m-20 -56.76 -42.39 79.3 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.01 0.433 . . . . 0.0 110.313 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -73.54 -38.77 65.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.109 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.872 HG22 HG22 ' A' ' 10' ' ' VAL . 11.5 t -58.3 -55.18 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-O 120.92 0.391 . . . . 0.0 110.218 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.405 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 38.2 tt0 -70.35 -21.17 62.92 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.728 -176.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.3 -41.79 72.88 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 mt -71.39 -26.84 62.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.938 172.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.489 ' HA ' ' HB2' ' B' ' 17' ' ' ASN . 17.3 tp -65.74 -26.7 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.343 0.592 . . . . 0.0 109.882 175.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 19.9 m -71.21 -44.48 65.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.962 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.72 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 32.0 mtmm -68.35 -36.99 80.05 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.76 173.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.543 ' OD1' ' HE2' ' A' ' 16' ' ' LYS . 6.0 m-80 -52.64 -46.67 67.21 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 173.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -61.78 -48.66 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.725 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 27.0 m80 -66.84 -51.68 52.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.01 -175.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 39.6 mt -57.9 -52.89 63.62 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.253 0.549 . . . . 0.0 110.095 -178.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 9.0 tt0 -57.51 -38.87 75.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.544 -177.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.588 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 5.9 m-20 -68.19 -41.92 80.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.76 175.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 11.9 mm-40 -62.12 -41.58 98.38 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.812 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 20' ' ' LEU . 36.8 t -60.18 -41.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.104 0.478 . . . . 0.0 110.056 177.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.82 91.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.933 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 35.4 mmt180 -60.52 -52.95 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.021 0.439 . . . . 0.0 110.075 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.699 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 6.2 mp -61.7 -36.76 81.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.737 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.528 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -58.66 -40.46 83.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.265 0.555 . . . . 0.0 109.895 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -77.1 -18.48 57.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 82.9 mt -89.06 -28.02 20.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.324 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 27' ' ' LEU . 58.0 t -72.86 -23.86 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 169.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.32 22.67 50.78 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.165 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.159 -177.809 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 CA-C-O 119.901 -0.388 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p 37.79 -89.72 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -47.52 -47.38 27.81 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.111 0.564 . . . . 0.0 112.48 -173.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -73.27 -16.26 61.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -173.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.3 -39.16 8.56 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.663 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.2 mm? -68.18 -48.6 64.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.154 175.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 3' ' ' MET . 0.9 OUTLIER -63.93 -35.83 81.97 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.156 178.236 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.33 -30.65 71.69 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.007 175.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -71.45 -43.42 66.7 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.909 HG22 HG22 ' B' ' 10' ' ' VAL . 8.0 t -62.13 -50.58 79.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.329 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -63.87 -29.46 70.65 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.345 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.15 -39.06 75.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.8 mt -68.77 -30.85 69.53 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.94 -27.39 68.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.954 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 18' ' ' TYR . 20.7 m -75.92 -44.71 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.597 -178.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.662 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -73.63 -32.18 63.91 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.16 175.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 8.4 m-20 -56.45 -38.88 72.26 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 170.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.423 ' HB3' ' O ' ' A' ' 15' ' ' SER . 87.9 t80 -63.03 -46.66 86.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.222 174.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -65.19 -50.16 66.99 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.041 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 21.5 mt -56.65 -54.6 44.16 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.002 0.43 . . . . 0.0 110.151 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.5 OUTLIER -58.43 -41.6 85.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.751 -177.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.9 -40.18 94.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.311 . . . . 0.0 110.675 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -64.55 -41.61 96.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.959 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 20' ' ' LEU . 57.5 t -59.15 -46.31 92.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.217 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.09 91.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.346 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -65.31 -49.5 69.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.531 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.645 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.1 mp -61.57 -42.5 98.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.149 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 20.6 tptp -73.0 -9.67 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.021 -176.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -76.73 -38.0 55.05 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 172.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.41 -34.16 48.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.978 176.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 31' ' ' VAL . 15.6 t -91.97 32.2 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 122.412 1.101 . . . . 0.0 108.38 171.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.25 -55.84 0.06 OUTLIER Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.715 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.987 178.532 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 CA-C-O 119.957 -0.357 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.7 p 37.84 -89.55 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.933 1.293 . . . . 0.0 114.271 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' B' ' 7' ' ' GLU . 0.1 OUTLIER -47.56 -47.4 28.33 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.096 0.558 . . . . 0.0 112.483 -173.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.29 -16.17 61.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -173.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.33 -39.37 8.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -177.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.672 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.2 mm? -68.09 -48.51 65.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.194 175.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' B' ' 3' ' ' MET . 0.9 OUTLIER -64.02 -35.76 81.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.109 178.27 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -30.23 71.26 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.974 175.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -71.9 -43.3 65.6 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.909 HG22 HG22 ' A' ' 10' ' ' VAL . 7.7 t -62.23 -50.33 80.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.333 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -64.05 -29.5 70.64 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.385 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.09 -39.22 75.7 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.6 mt -68.57 -30.99 69.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.76 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.05 -27.02 68.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.031 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' B' ' 18' ' ' TYR . 24.8 m -76.26 -44.66 36.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.551 -178.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.663 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.2 OUTLIER -73.6 -32.4 64.08 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.148 175.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -56.18 -39.13 71.89 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 170.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' B' ' 15' ' ' SER . 87.8 t80 -62.92 -46.61 86.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.182 175.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -65.18 -50.2 66.85 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.999 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 21.3 mt -56.65 -54.89 40.87 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.02 0.438 . . . . 0.0 110.186 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.28 -41.28 83.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.787 -177.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.06 -39.85 93.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.634 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.13 -41.42 94.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.857 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.597 HG23 ' O ' ' B' ' 20' ' ' LEU . 57.8 t -59.14 -46.27 92.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.301 176.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.49 91.34 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.229 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -65.22 -49.22 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.626 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.645 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.1 mp -61.72 -42.63 99.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.109 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' B' ' 28' ' ' LYS . 20.6 tptp -72.8 -9.72 58.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.786 0.326 . . . . 0.0 110.939 -176.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -76.71 -38.08 54.97 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 172.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.46 -34.15 47.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.103 176.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.421 HG12 ' O ' ' B' ' 31' ' ' VAL . 15.2 t -91.87 32.34 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 122.259 1.028 . . . . 0.0 108.329 171.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.46 -55.27 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.781 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.176 178.477 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 111.797 -0.521 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -110.05 -65.4 1.16 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.781 0.324 . . . . 0.0 111.073 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.0 mmm -49.09 -60.15 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.457 -172.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -68.84 -18.83 64.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -171.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 24.9 mt-30 -95.26 -43.92 7.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -175.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 10' ' ' VAL . 3.4 mm? -68.15 -46.14 71.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.455 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.48 -34.59 77.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.39 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.11 -32.25 73.58 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.822 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 96.7 mttt -72.57 -44.69 61.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.472 177.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.823 HG22 HG22 ' B' ' 10' ' ' VAL . 5.8 t -55.28 -55.08 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.122 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.73 -24.05 64.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.449 -175.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.66 -43.32 66.26 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.461 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 50.9 mt -66.27 -33.59 76.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.94 -30.27 70.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.548 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.4 m -69.61 -47.82 62.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.799 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.735 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 15.5 pttm -77.99 -32.51 51.26 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.337 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' B' ' 13' ' ' LEU . 3.5 m-20 -50.37 -46.76 56.2 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 171.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -58.63 -42.09 87.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.743 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -75.52 -40.49 56.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.785 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 12.4 mt -62.94 -45.68 91.32 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.51 -46.8 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.405 176.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -71.93 -36.42 69.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.718 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.37 -47.91 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.696 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 20' ' ' LEU . 61.6 t -59.71 -47.5 90.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.919 0.39 . . . . 0.0 110.437 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.07 81.02 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.524 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -69.71 -48.52 59.26 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.579 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.3 mp -60.43 -37.93 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -44.73 78.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.441 -178.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -80.29 -18.51 49.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.776 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.3 mt -82.07 -31.74 30.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.4 t -72.62 -28.55 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 170.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.69 29.97 8.86 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.48 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.0 -178.717 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -110.19 -65.27 1.17 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.732 0.301 . . . . 0.0 111.114 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 94.9 mmm -49.14 -60.03 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.587 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -69.05 -18.46 64.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.499 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 24.9 mt-30 -95.62 -43.68 7.82 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -175.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 3.4 mm? -68.18 -46.47 70.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.402 176.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.08 -34.87 77.11 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.42 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.15 -31.79 73.02 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.865 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 96.7 mttt -73.02 -45.06 59.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.25 176.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 10' ' ' VAL . 5.7 t -54.9 -55.12 17.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-O 121.236 0.541 . . . . 0.0 110.2 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.57 -24.2 64.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.509 -176.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -71.2 -44.24 65.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.48 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 50.9 mt -65.5 -33.85 76.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.479 174.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 tp -60.64 -30.12 69.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.497 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.1 m -70.11 -47.38 62.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.766 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.73 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 15.5 pttm -78.15 -32.64 50.4 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.299 176.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.461 ' ND2' ' HB3' ' A' ' 13' ' ' LEU . 3.6 m-20 -50.39 -46.73 56.38 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.287 0.565 . . . . 0.0 109.694 171.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -58.54 -42.41 87.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.672 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -75.44 -39.96 58.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.903 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 12.5 mt -63.23 -45.86 89.67 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 177.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -51.33 -47.35 62.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.35 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -71.42 -36.27 71.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.756 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.46 -47.93 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.715 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 20' ' ' LEU . 61.6 t -59.78 -47.65 90.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.452 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.86 80.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.612 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -69.8 -48.2 60.03 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.2 mp -60.68 -37.82 82.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.038 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -44.79 78.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.617 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -80.55 -17.86 50.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.778 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 67.4 mt -82.69 -31.42 28.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.75 -28.82 28.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 170.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.66 30.09 8.79 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.48 175.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.816 -0.612 . . . . 0.0 110.094 -178.703 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.805 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -113.45 12.34 18.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.067 0.461 . . . . 0.0 111.137 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -38.53 87.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.275 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 68.6 mttm -75.18 -4.96 41.87 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.507 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -97.84 -41.58 7.97 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.618 HD12 HD12 ' B' ' 6' ' ' LEU . 0.1 OUTLIER -57.27 -57.79 11.06 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 168.218 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.47 -34.32 68.9 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.507 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -77.22 -49.14 15.78 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 119.966 -0.694 . . . . 0.0 112.1 -177.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG2' HG11 ' B' ' 10' ' ' VAL . 86.1 tttt -73.99 -38.4 64.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.251 -173.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 6' ' ' LEU . 43.8 t -65.43 -51.18 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.094 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . 41.3 tt0 -67.77 -16.82 64.3 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.706 -177.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.02 -44.58 84.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt -71.97 -28.5 63.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.145 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 15.4 tp -64.23 -28.74 69.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.397 0.618 . . . . 0.0 110.244 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t -67.14 -47.97 69.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.526 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.78 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 21.1 ptmt -74.61 -25.96 59.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.299 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.525 ' ND2' ' HG3' ' B' ' 16' ' ' LYS . 8.9 m120 -54.22 -47.58 72.0 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 168.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -62.23 -44.13 97.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.431 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.571 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 9.8 m-70 -62.12 -52.87 62.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.527 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 21.4 mt -59.76 -45.49 92.07 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.73 -43.31 72.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.151 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -65.23 -40.81 94.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.334 . . . . 0.0 110.3 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 33.6 mm-40 -63.39 -47.4 82.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.735 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 20' ' ' LEU . 40.0 t -62.11 -44.55 99.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.312 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.21 86.72 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.214 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -59.48 -50.1 75.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.372 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.6 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.6 mp -63.36 -35.14 79.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.581 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.21 -38.12 79.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.591 0.234 . . . . 0.0 111.407 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.07 -27.02 61.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.266 0.555 . . . . 0.0 110.262 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.9 mt -85.38 -32.83 22.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.957 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -78.2 -28.5 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 171.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.32 -63.18 4.1 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.645 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.818 -177.726 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.9 p -114.03 12.39 17.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.983 0.42 . . . . 0.0 111.117 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -38.46 87.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.276 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 68.5 mttm -75.3 -4.85 41.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.547 177.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -97.76 -41.71 7.95 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.618 HD12 HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -57.22 -57.67 11.6 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 168.384 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -57.24 -34.72 68.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.488 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' B' ' 4' ' ' LYS . 0.2 OUTLIER -77.22 -49.12 15.8 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.101 -0.64 . . . . 0.0 112.207 -177.592 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.46 ' HG2' HG11 ' A' ' 10' ' ' VAL . 86.0 tttt -74.0 -38.37 64.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.163 -0.215 . . . . 0.0 111.255 -173.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 6' ' ' LEU . 43.2 t -65.41 -50.78 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.001 0.429 . . . . 0.0 110.212 179.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 41.7 tt0 -68.06 -17.16 64.31 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.741 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -65.51 -44.73 86.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.404 ' HA ' ' HG2' ' B' ' 16' ' ' LYS . 51.9 mt -71.96 -28.49 63.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.201 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' B' ' 17' ' ' ASN . 15.4 tp -64.33 -28.61 69.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.497 0.665 . . . . 0.0 110.192 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t -67.37 -47.74 69.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.585 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.78 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 21.4 ptmt -74.83 -25.74 59.21 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.253 176.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.502 ' ND2' ' HG3' ' A' ' 16' ' ' LYS . 8.6 m120 -54.58 -47.19 73.62 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 168.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.46 -44.37 96.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.366 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.566 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 10.0 m-70 -61.79 -53.08 60.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.568 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 21.4 mt -59.57 -45.42 91.91 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -54.75 -43.32 72.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.192 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.21 -40.64 94.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.9 0.381 . . . . 0.0 110.437 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 32.7 mm-40 -63.61 -47.17 82.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.689 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 20' ' ' LEU . 40.2 t -62.49 -44.4 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.244 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.2 86.86 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.273 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -59.11 -50.27 74.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.343 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.6 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.6 mp -63.38 -35.31 79.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.608 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -59.29 -37.63 78.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.617 0.246 . . . . 0.0 111.491 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.58 -26.73 60.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.273 0.559 . . . . 0.0 110.33 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -85.67 -32.47 21.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.951 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.45 -28.51 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 171.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.41 -63.15 4.1 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.701 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.909 -177.884 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 p -53.82 -41.07 66.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.53 ' HA ' ' CD1' ' B' ' 6' ' ' LEU . 84.3 mtp -55.24 -48.17 74.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -172.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -88.71 -23.17 23.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.729 0.299 . . . . 0.0 111.71 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.558 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 55.6 mt-30 -88.68 -40.0 13.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.518 -173.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' CD1' ' HA ' ' B' ' 3' ' ' MET . 33.6 mt -73.49 -38.45 65.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 175.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.22 -38.41 86.52 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.859 172.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -33.3 74.1 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.222 175.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 45.9 mmtm -67.15 -43.75 81.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.601 0.238 . . . . 0.0 110.461 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.624 HG22 HG22 ' B' ' 10' ' ' VAL . 3.0 t -58.54 -46.72 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.88 -27.63 68.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.134 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -42.81 73.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.4 -32.63 72.82 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.829 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.26 -26.18 68.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.091 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -73.39 -48.49 33.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.549 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HE2' ' CG ' ' B' ' 17' ' ' ASN . 14.6 pttm -74.76 -36.45 62.58 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 119.347 -0.941 . . . . 0.0 109.817 177.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.451 ' CG ' ' HE2' ' B' ' 16' ' ' LYS . 4.0 m-20 -52.77 -40.18 62.92 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 172.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.94 -52.31 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -70.83 -44.25 66.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.533 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.669 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 7.1 tp -65.2 -34.42 78.34 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 123.465 0.706 . . . . 0.0 111.693 -177.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -66.61 -36.01 81.56 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 121.848 -0.532 . . . . 0.0 110.245 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.428 HD22 ' N ' ' A' ' 22' ' ' ASN . 0.9 OUTLIER -74.33 -30.64 62.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.186 177.263 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.69 -46.5 87.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.522 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.461 HG23 HG23 ' B' ' 24' ' ' VAL . 43.7 t -61.28 -42.95 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.1 176.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.1 83.12 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.549 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 75.1 mtp180 -61.13 -51.9 67.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.233 178.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.521 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.9 mp -57.98 -38.0 75.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.471 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -61.78 -26.62 68.2 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.412 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -78.0 -35.36 50.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.129 0.49 . . . . 0.0 110.591 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.5 -43.58 66.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.206 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -73.41 -26.69 22.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.465 0.65 . . . . 0.0 109.403 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.99 -29.3 70.82 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 114.912 -1.04 . . . . 0.0 113.19 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 122.883 0.473 . . . . 0.0 110.375 -179.399 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.7 p -54.97 -41.08 70.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.549 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 84.2 mtp -55.01 -48.15 73.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -172.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -88.59 -23.46 23.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.696 0.284 . . . . 0.0 111.712 -176.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 55.5 mt-30 -88.68 -39.78 13.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.48 -172.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.543 ' O ' HG23 ' B' ' 10' ' ' VAL . 33.2 mt -73.79 -38.24 64.69 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.33 -38.38 86.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.845 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -32.95 73.73 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.272 175.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 45.9 mmtm -67.32 -43.75 80.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 178.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.624 HG22 HG22 ' A' ' 10' ' ' VAL . 3.0 t -58.58 -46.62 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -64.76 -27.94 69.24 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.163 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.54 -42.91 73.99 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.37 -32.59 72.78 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 tp -63.25 -26.37 68.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.114 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.8 t -73.18 -48.91 31.28 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.475 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.451 ' HE2' ' CG ' ' A' ' 17' ' ' ASN . 14.4 pttm -74.36 -36.57 63.59 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 119.323 -0.951 . . . . 0.0 109.908 177.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.446 ' CG ' ' HE2' ' A' ' 16' ' ' LYS . 4.1 m-20 -52.69 -39.87 62.39 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 172.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -59.26 -52.65 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.469 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -70.53 -43.97 68.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.633 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.669 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 7.1 tp -65.4 -34.55 78.57 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.33 0.652 . . . . 0.0 111.585 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.33 -36.18 82.25 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.849 -0.532 . . . . 0.0 110.258 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.44 ' N ' HD22 ' B' ' 22' ' ' ASN . 0.9 OUTLIER -74.15 -30.76 62.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.09 177.455 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.7 -46.21 89.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.63 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.461 HG23 HG23 ' A' ' 24' ' ' VAL . 43.8 t -61.33 -42.69 94.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.858 0.361 . . . . 0.0 110.156 176.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.24 -45.48 83.9 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.433 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' B' ' 22' ' ' ASN . 74.9 mtp180 -60.64 -52.03 66.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.019 0.438 . . . . 0.0 110.3 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.9 mp -58.13 -38.08 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.338 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -61.67 -26.45 68.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.498 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -77.97 -35.84 49.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.119 0.485 . . . . 0.0 110.526 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mp -70.92 -43.59 67.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.32 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -73.72 -26.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.675 0.75 . . . . 0.0 109.376 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.7 -29.5 69.48 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 114.851 -1.068 . . . . 0.0 113.01 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 119.231 -0.414 . . . . 0.0 110.186 -179.269 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -114.21 -32.02 6.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.409 0.147 . . . . 0.0 111.331 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.9 mmm -54.02 -54.71 35.48 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -71.76 -10.93 60.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.781 0.324 . . . . 0.0 111.687 -175.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -96.37 -39.29 9.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -176.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.3 mm? -69.2 -45.37 70.07 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.025 172.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.32 -32.24 72.11 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.933 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.14 -39.83 87.69 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.699 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -72.78 -38.88 67.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.025 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.853 HG22 HG22 ' B' ' 10' ' ' VAL . 6.3 t -61.86 -50.04 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.031 0.443 . . . . 0.0 109.875 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . 42.5 mt-10 -69.18 -20.64 64.0 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.065 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.99 -48.45 65.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.454 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 63.6 mt -69.16 -28.58 66.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.829 175.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 18.6 tp -62.54 -32.22 73.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.439 175.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -71.41 -50.57 30.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.252 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.686 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -68.05 -31.49 71.18 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.254 176.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 4.7 m-20 -56.91 -41.25 77.8 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 171.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.47 -44.18 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.124 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -64.26 -51.95 61.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.554 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 18.9 mt -57.1 -53.83 53.59 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 120.855 0.359 . . . . 0.0 110.095 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.5 OUTLIER -54.54 -44.43 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.132 -177.493 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.4 -35.75 73.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 178.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' OE2' HG11 ' B' ' 24' ' ' VAL . 37.4 tt0 -68.4 -37.53 80.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.21 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 20' ' ' LEU . 91.6 t -59.13 -49.71 82.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.316 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.07 76.14 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.332 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -65.59 -53.4 42.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.57 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.684 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 2.1 mp -61.3 -42.21 98.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -70.51 -11.8 61.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.677 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -78.29 -34.72 48.65 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -80.86 -36.2 31.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.355 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.0 t -77.52 -16.11 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.717 0.77 . . . . 0.0 109.401 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.17 -69.5 1.36 Allowed Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.824 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.248 0.995 0 C-N-CA 122.869 0.468 . . . . 0.0 110.619 -179.294 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.991 -0.443 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.401 ' O ' HD23 ' B' ' 6' ' ' LEU . 4.5 p -113.73 -31.93 6.3 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.833 -0.216 . . . . 0.0 111.351 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 95.9 mmm -54.22 -54.62 37.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -71.68 -11.19 60.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.758 0.313 . . . . 0.0 111.561 -175.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -96.02 -39.32 9.81 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -176.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.624 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.3 mm? -69.41 -45.33 69.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.014 172.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -61.38 -32.13 72.04 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.966 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.34 -39.79 88.34 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.706 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -72.73 -38.88 67.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.027 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.853 HG22 HG22 ' A' ' 10' ' ' VAL . 6.1 t -61.67 -50.13 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.021 0.439 . . . . 0.0 109.941 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.412 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 42.5 mt-10 -69.22 -20.74 63.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.168 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.68 -48.51 66.39 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.459 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 64.0 mt -69.14 -28.7 66.68 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.945 175.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.412 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 18.8 tp -62.24 -32.76 73.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.487 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t -71.13 -50.22 35.86 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.407 -177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.693 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -68.21 -31.43 70.94 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.313 176.595 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 4.8 m-20 -56.68 -41.83 77.99 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 171.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.04 -44.18 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.087 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -64.27 -52.1 60.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.482 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 18.5 mt -56.86 -53.92 52.41 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 120.867 0.365 . . . . 0.0 110.058 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.517 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 0.4 OUTLIER -54.48 -44.41 72.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.087 -177.488 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -70.48 -35.74 73.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.881 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.49 -37.48 80.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.172 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 20' ' ' LEU . 89.2 t -59.25 -49.8 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.272 175.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.93 75.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.369 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -65.7 -53.21 44.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.598 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.684 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 2.1 mp -61.39 -42.11 98.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' B' ' 28' ' ' LYS . 19.8 tptm -70.36 -12.31 61.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.669 -177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -78.02 -34.88 50.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 175.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mp -80.7 -36.05 32.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.369 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.85 -15.78 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.688 0.756 . . . . 0.0 109.374 173.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.55 -69.54 1.35 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.839 -176.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.749 -179.351 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p -125.86 -56.97 1.45 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.766 0.283 . . . . 0.0 111.411 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.6 mmm -47.26 -57.73 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -171.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -67.64 -25.19 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 2.2 mp0 -87.47 -42.6 12.67 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -175.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.665 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.0 mm? -62.49 -48.22 80.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.851 173.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.02 -36.42 74.93 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.21 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.512 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 5.3 m-20 -59.11 -46.32 88.64 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.525 175.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 34.8 mmtp -61.23 -44.14 97.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.989 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.863 HG22 HG22 ' B' ' 10' ' ' VAL . 4.9 t -58.47 -49.47 82.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.313 0.577 . . . . 0.0 110.188 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.21 -30.02 67.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.722 -175.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 46.1 mt-10 -64.24 -45.92 86.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.989 0.423 . . . . 0.0 110.005 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.57 -35.99 82.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.481 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 12.3 tp -62.43 -31.97 72.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.821 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -73.12 -37.38 66.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.738 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.757 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 54.4 pttt -81.33 -29.77 34.05 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.508 175.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 8.4 m120 -50.56 -46.64 57.71 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 167.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -59.97 -62.41 1.89 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.043 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.62 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 74.7 m-70 -65.25 -41.96 93.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.857 -174.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.757 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 3.5 tp -67.11 -31.55 72.09 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.601 0.36 . . . . 0.0 110.538 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 4.3 mt-10 -63.67 -41.51 98.17 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 122.101 -0.374 . . . . 0.0 110.181 172.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -67.15 -32.13 73.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.685 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.62 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 11.1 mm-40 -60.85 -48.68 80.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.416 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.594 HG23 HG23 ' B' ' 24' ' ' VAL . 48.4 t -61.32 -43.49 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.128 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.23 78.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.249 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 26' ' ' ARG . 54.8 mtt180 -59.91 -60.22 4.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.508 177.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.664 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.6 mp -54.09 -39.82 66.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.636 -176.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.567 ' HD3' HD21 ' B' ' 27' ' ' LEU . 16.6 tptp -57.99 -40.02 79.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.733 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -75.2 -27.62 59.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.439 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -74.95 -33.57 61.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.671 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.8 t -73.39 -24.98 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 171.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.81 31.54 17.75 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 114.614 -1.176 . . . . 0.0 112.106 175.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 18.5 mm-40 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.513 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.3 p -126.03 -57.12 1.43 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.9 0.35 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 95.6 mmm -47.13 -57.81 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -171.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -67.65 -25.1 65.55 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 2.3 mp0 -87.7 -42.65 12.49 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -175.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.663 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.0 mm? -62.5 -48.19 80.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.948 173.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.03 -36.3 74.73 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.28 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.512 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 5.4 m-20 -59.38 -46.19 89.36 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.432 175.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 34.8 mmtp -61.12 -44.27 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.027 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.863 HG22 HG22 ' A' ' 10' ' ' VAL . 5.0 t -58.62 -49.07 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.26 0.553 . . . . 0.0 110.249 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -70.36 -30.13 66.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.752 -175.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 46.2 mt-10 -64.2 -45.92 86.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.059 0.457 . . . . 0.0 109.94 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.49 -35.98 82.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.544 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' B' ' 17' ' ' ASN . 12.3 tp -62.56 -31.68 72.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.837 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 8.1 t -73.27 -37.59 66.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.676 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.763 ' O ' ' HB3' ' B' ' 20' ' ' LEU . 54.4 pttt -81.3 -29.71 34.17 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 119.626 -0.83 . . . . 0.0 109.559 175.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 8.3 m120 -50.63 -46.45 58.27 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 167.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -60.28 -62.13 2.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.082 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.625 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 74.4 m-70 -65.41 -41.82 93.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.883 -174.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.763 ' HB3' ' O ' ' B' ' 16' ' ' LYS . 3.4 tp -67.21 -31.5 71.93 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.554 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 4.3 mt-10 -63.65 -41.64 98.21 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.182 172.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -67.21 -31.91 72.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 176.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.625 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 10.3 mm-40 -60.99 -48.62 80.98 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.405 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.594 HG23 HG23 ' A' ' 24' ' ' VAL . 47.8 t -61.3 -43.29 96.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.85 0.357 . . . . 0.0 110.15 177.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.37 -45.95 80.28 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.261 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' B' ' 26' ' ' ARG . 54.9 mtt180 -60.21 -60.01 4.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.497 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.664 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.7 mp -54.09 -39.73 66.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.574 -176.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.58 ' HD3' HD21 ' A' ' 27' ' ' LEU . 16.6 tptp -58.16 -40.02 80.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.638 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -75.37 -27.44 59.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.425 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mp -74.89 -33.71 62.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.668 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.2 t -73.1 -25.31 21.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 171.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.48 31.0 17.35 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.109 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' B' ' 28' ' ' LYS . 20.5 mm-40 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.413 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p -91.66 -22.91 20.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.734 0.267 . . . . 0.0 111.559 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -58.37 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.278 -172.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -84.63 -14.95 47.14 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.554 -172.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -87.24 -44.98 11.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.139 0.495 . . . . 0.0 109.674 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 10' ' ' VAL . 3.9 mm? -65.78 -46.41 78.83 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 173.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.82 -34.34 72.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.53 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.93 -43.94 81.96 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.802 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -72.78 -37.23 67.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.082 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.928 HG22 HG22 ' B' ' 10' ' ' VAL . 7.3 t -58.15 -53.01 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.359 0.6 . . . . 0.0 110.047 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.63 -17.56 59.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.274 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -76.56 -42.95 41.0 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 67.6 mt -66.73 -26.12 66.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.482 172.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 tp -67.15 -28.22 67.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.313 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.0 t -74.25 -45.03 50.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.061 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.714 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 20.2 ptmt -72.61 -32.4 65.91 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.308 175.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 5.4 m-20 -55.94 -41.34 74.48 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 171.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -63.26 -47.66 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.938 175.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -60.49 -50.74 72.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.395 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 24.9 mt -60.83 -53.61 55.21 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.01 0.433 . . . . 0.0 110.339 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 8.1 tt0 -55.38 -47.43 75.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.161 -176.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -68.26 -33.3 74.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.61 -41.54 88.25 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 20' ' ' LEU . 57.8 t -59.43 -48.44 87.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.285 176.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . -58.58 -38.49 78.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.185 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -65.3 -52.66 52.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.482 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.1 mp -61.27 -37.23 82.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.098 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -62.94 -28.39 70.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.834 -178.146 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 35.2 mmtp -72.81 -34.75 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.951 0.405 . . . . 0.0 110.566 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.1 -31.21 61.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.209 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.2 t -96.63 32.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 122.071 0.939 . . . . 0.0 108.48 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.58 -52.75 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.296 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.415 -0.802 . . . . 0.0 110.231 179.555 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p -92.97 -22.86 18.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.768 0.284 . . . . 0.0 111.37 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -58.2 8.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.157 -173.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -84.8 -14.7 47.32 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.477 -172.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -87.41 -45.19 10.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.242 0.544 . . . . 0.0 109.628 -175.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.632 ' O ' HG23 ' B' ' 10' ' ' VAL . 3.9 mm? -65.72 -46.44 78.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 173.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.82 -34.26 72.84 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.548 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.91 -43.75 81.68 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.9 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -72.88 -37.5 67.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.142 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 10' ' ' VAL . 7.5 t -57.89 -53.11 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 121.384 0.612 . . . . 0.0 110.018 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -75.74 -17.38 59.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.238 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -76.52 -43.01 41.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.69 -25.99 66.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 tp -67.65 -27.76 67.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.231 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -74.34 -45.39 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.13 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.719 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 20.0 ptmt -72.59 -32.19 65.79 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.205 175.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 5.4 m-20 -56.1 -41.49 75.31 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 171.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -63.1 -47.71 81.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.876 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -60.36 -50.89 71.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.478 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 25.1 mt -60.68 -53.64 54.95 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.04 0.448 . . . . 0.0 110.356 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 8.4 tt0 -55.47 -47.2 76.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.26 -176.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -68.36 -33.34 74.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.55 -41.42 88.7 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.208 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 20' ' ' LEU . 57.8 t -59.34 -48.63 86.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.262 176.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' ' 29' ' ' LYS . . . -58.42 -38.78 78.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.014 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -65.12 -52.25 56.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.552 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.1 mp -61.76 -37.28 83.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.129 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.507 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -62.85 -28.17 69.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.916 -178.265 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' B' ' 25' ' ' ALA . 35.1 mmtp -72.91 -34.87 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.456 177.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.07 -31.13 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.165 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 t -96.44 32.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 122.152 0.977 . . . . 0.0 108.461 171.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.26 -52.87 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.109 -0.951 . . . . 0.0 112.254 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.221 179.599 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' HD23 ' A' ' 6' ' ' LEU . 12.9 p -135.13 -61.87 0.73 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.848 0.324 . . . . 0.0 111.068 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.7 mmt -53.78 -48.2 70.01 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -173.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.43 -21.01 58.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.686 0.279 . . . . 0.0 111.463 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 25.8 mt-30 -89.22 -37.08 15.26 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.0 mm? -67.09 -42.4 84.69 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.33 -34.09 74.68 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.306 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 13.3 m-20 -55.51 -38.76 69.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.811 174.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -71.86 -46.29 58.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.432 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.787 HG22 HG22 ' B' ' 10' ' ' VAL . 7.6 t -57.97 -55.12 23.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.627 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.01 -22.03 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.246 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.31 -46.39 77.05 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.469 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 71.0 mt -67.29 -34.02 76.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.747 175.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.06 -32.08 70.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.573 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -70.92 -46.34 62.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.958 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.714 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 63.4 pttt -77.87 -30.69 51.0 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.256 177.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.475 ' ND2' ' HB3' ' B' ' 13' ' ' LEU . 4.4 m-20 -53.38 -44.96 69.03 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 170.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -58.47 -38.99 78.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.831 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -79.82 -45.12 19.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.789 -176.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 17.6 mt -58.68 -52.97 63.41 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.146 0.498 . . . . 0.0 109.877 178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -56.52 -41.01 76.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.093 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -74.46 -35.1 63.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.729 0.299 . . . . 0.0 110.821 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.27 -43.46 97.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.922 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 20' ' ' LEU . 93.0 t -58.69 -46.54 90.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.689 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.45 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.809 -175.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 16.7 ptp180 -66.78 -35.36 79.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.746 0.308 . . . . 0.0 110.945 -178.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.607 HD21 ' HG2' ' B' ' 28' ' ' LYS . 1.4 mp -61.92 -44.62 96.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.514 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.632 ' HG2' HD21 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -69.41 -12.41 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.506 179.182 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.537 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -77.1 -38.77 51.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.729 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.5 -35.38 53.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.934 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 t -89.32 32.33 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 122.282 1.039 . . . . 0.0 108.234 171.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.39 -59.34 0.1 OUTLIER Glycine 0 N--CA 1.441 -0.985 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.467 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.64 176.476 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.425 ' O ' HD23 ' B' ' 6' ' ' LEU . 12.4 p -135.34 -61.67 0.73 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.654 0.227 . . . . 0.0 111.177 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.9 mmt -54.2 -48.55 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -172.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -75.08 -21.11 59.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.794 0.33 . . . . 0.0 111.511 -175.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 25.9 mt-30 -88.91 -37.17 15.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.283 0.563 . . . . 0.0 109.588 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.573 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.0 mm? -67.0 -42.48 84.94 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 170.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.19 -34.19 74.68 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.393 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' B' ' 5' ' ' GLN . 12.7 m-20 -55.48 -38.67 69.44 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.739 174.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -71.85 -46.53 57.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.443 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.787 HG22 HG22 ' A' ' 10' ' ' VAL . 7.5 t -57.68 -55.29 22.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.58 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -69.05 -21.72 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.136 -175.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -66.63 -46.16 76.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.475 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 70.8 mt -67.47 -34.01 76.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.724 175.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -60.08 -32.29 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.541 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 55.2 m -70.89 -45.79 63.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.134 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.72 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 63.3 pttt -78.31 -30.52 48.37 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.243 177.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 13' ' ' LEU . 4.3 m-20 -53.39 -45.28 69.22 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 170.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -58.18 -38.78 77.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.92 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -80.11 -45.03 18.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.697 -176.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 17.8 mt -58.7 -52.85 63.94 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.096 0.474 . . . . 0.0 109.852 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.52 -41.02 76.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.223 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -74.15 -35.65 64.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.331 . . . . 0.0 110.757 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.8 -43.46 98.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.066 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 20' ' ' LEU . 90.5 t -58.74 -46.56 90.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.607 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.09 -52.77 63.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.83 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' B' ' 29' ' ' LYS . 16.7 ptp180 -66.64 -35.2 79.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.955 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.632 HD21 ' HG2' ' A' ' 28' ' ' LYS . 1.4 mp -62.14 -44.74 95.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.932 0.396 . . . . 0.0 110.447 175.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.607 ' HG2' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -69.04 -13.08 62.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.524 179.234 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.55 ' HA ' ' HE3' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -76.57 -38.69 54.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.306 0.574 . . . . 0.0 109.487 174.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.73 -35.14 52.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.938 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 t -89.43 32.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.243 1.021 . . . . 0.0 108.355 171.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.03 -58.87 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.362 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.722 -0.656 . . . . 0.0 109.839 176.425 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 p -83.94 -33.1 24.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.863 0.332 . . . . 0.0 111.535 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.2 mmm -55.11 -48.11 74.07 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -173.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -78.2 -23.91 47.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -86.05 -38.92 17.34 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.113 0.482 . . . . 0.0 109.817 -175.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.0 mm? -66.84 -42.56 85.56 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.08 -35.5 78.84 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.427 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.73 -33.98 72.35 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.44 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -76.54 -40.17 50.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.456 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.898 HG22 HG22 ' B' ' 10' ' ' VAL . 10.2 t -61.44 -48.06 90.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.377 0.608 . . . . 0.0 109.737 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . 1.1 tm-20 -70.12 -18.96 63.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.364 -178.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.65 -41.58 79.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.31 -52.53 46.35 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 169.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.434 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 8.0 tp -49.83 -33.81 17.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.228 -0.897 . . . . 0.0 112.387 -176.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p -75.72 -42.08 51.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.113 -178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -75.65 -31.34 59.77 Favored 'General case' 0 C--O 1.213 -0.849 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.182 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.73 -42.56 75.53 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 171.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -52.19 -47.2 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.24 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -79.65 -44.05 21.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.495 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.646 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 3.7 tp -64.46 -37.48 87.7 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.389 0.676 . . . . 0.0 111.287 -177.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -72.97 -34.77 66.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.943 -0.473 . . . . 0.0 110.085 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -73.4 -28.39 61.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.297 174.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.82 -45.94 90.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.124 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.569 HG23 HG23 ' B' ' 24' ' ' VAL . 54.9 t -62.12 -48.0 90.5 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.118 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.206 176.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.91 -43.23 69.56 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.482 ' O ' HD13 ' A' ' 30' ' ' LEU . 69.0 ttt180 -60.32 -58.15 9.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.117 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.63 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.2 mp -59.28 -35.14 73.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.598 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -25.08 67.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.783 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -86.55 -38.17 17.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.211 0.529 . . . . 0.0 109.926 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.762 ' HB3' HG21 ' B' ' 31' ' ' VAL . 10.1 mp -61.48 -50.56 72.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.703 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.763 HG21 ' HB3' ' B' ' 30' ' ' LEU . 8.2 p -87.97 -9.11 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.422 0.629 . . . . 0.0 109.875 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.35 -54.98 7.21 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.204 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.031 178.798 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p -83.37 -33.57 25.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.719 0.259 . . . . 0.0 111.486 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 96.1 mmm -54.94 -47.94 73.82 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -78.31 -24.11 46.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -85.83 -39.03 17.5 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.096 0.474 . . . . 0.0 109.83 -175.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.628 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.0 mm? -66.86 -42.65 85.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.89 -35.66 79.01 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.46 174.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -59.76 -33.61 71.89 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.398 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -76.99 -39.46 50.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.657 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.898 HG22 HG22 ' A' ' 10' ' ' VAL . 9.8 t -61.84 -48.34 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.245 0.545 . . . . 0.0 109.662 176.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.436 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 1.1 tm-20 -70.03 -19.18 63.32 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.287 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.39 -41.57 80.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.41 -52.33 47.69 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 170.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.436 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 8.0 tp -49.76 -34.36 18.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.27 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p -75.36 -41.99 55.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.193 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -75.62 -31.31 59.82 Favored 'General case' 0 C--O 1.213 -0.817 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.227 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.88 -42.41 75.88 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 171.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -52.31 -47.32 66.03 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.214 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -79.43 -44.53 21.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.361 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.646 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 3.8 tp -64.04 -37.49 87.63 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.351 0.66 . . . . 0.0 111.368 -177.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -72.82 -34.61 66.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.9 -0.5 . . . . 0.0 110.244 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -73.93 -28.36 61.48 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.293 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -62.6 -46.16 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.164 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.569 HG23 HG23 ' A' ' 24' ' ' VAL . 54.9 t -61.95 -47.93 90.92 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.226 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.56 70.11 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.484 ' O ' HD13 ' B' ' 30' ' ' LEU . 68.9 ttt180 -60.86 -57.92 10.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.207 176.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.63 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.2 mp -59.39 -35.19 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.59 -177.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -25.69 68.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.751 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -85.81 -38.57 18.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.088 0.471 . . . . 0.0 109.945 175.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.763 ' HB3' HG21 ' A' ' 31' ' ' VAL . 10.1 mp -61.22 -50.39 73.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.685 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.762 HG21 ' HB3' ' A' ' 30' ' ' LEU . 8.2 p -88.41 -8.65 10.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.579 0.704 . . . . 0.0 109.875 176.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.79 -54.84 6.93 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.068 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.015 178.845 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p -157.88 -35.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.568 0.223 . . . . 0.0 111.219 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.7 mmt -50.7 -51.36 50.35 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -73.37 -10.2 59.5 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.716 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 52.8 mt-30 -95.15 -44.91 7.42 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.1 mm? -67.01 -44.26 80.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.3 175.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.74 -32.51 73.65 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.571 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.21 -37.86 84.52 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.604 174.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.0 mmmt -66.89 -43.56 83.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.529 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.809 HG22 HG22 ' B' ' 10' ' ' VAL . 5.7 t -62.96 -51.89 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.713 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.66 -21.44 62.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.739 -175.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.39 -44.71 74.51 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 56.7 mt -68.88 -29.24 67.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.821 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.19 -35.33 79.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.457 176.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 t -70.5 -46.44 63.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.628 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.692 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -70.7 -33.01 70.43 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.125 177.068 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 7.6 m-20 -56.43 -45.61 80.67 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 170.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -58.7 -39.51 80.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.557 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -74.69 -49.17 22.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.577 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 23.5 mt -56.67 -52.98 62.84 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.092 0.472 . . . . 0.0 110.176 178.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.5 OUTLIER -54.46 -43.69 71.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.163 -176.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 30.3 m-80 -76.3 -30.36 57.7 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.069 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' OE2' HG11 ' B' ' 24' ' ' VAL . 38.4 tt0 -66.63 -37.73 85.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 20' ' ' LEU . 98.0 t -61.68 -44.47 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.046 174.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.15 83.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.304 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.579 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 36.4 mmt180 -63.2 -55.7 22.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.168 177.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 6.3 mp -60.5 -37.56 81.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.707 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.549 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -63.04 -29.52 70.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.04 0.448 . . . . 0.0 110.376 -177.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -84.58 -26.83 27.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.123 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 89.8 mt -78.31 -39.48 39.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.282 -176.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' B' ' 30' ' ' LEU . 10.4 p -81.21 -10.32 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.861 0.839 . . . . 0.0 109.751 175.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.78 55.02 5.58 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.492 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.679 179.89 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.8 p -157.62 -35.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.526 0.203 . . . . 0.0 111.223 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.6 mmt -50.72 -51.36 50.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -73.5 -10.17 59.45 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.728 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 52.5 mt-30 -95.11 -44.77 7.5 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.568 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.2 mm? -67.08 -44.4 80.17 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.317 175.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -62.63 -32.61 73.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.527 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.08 -37.75 83.81 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.601 174.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 32.0 mmmt -67.26 -43.46 81.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.635 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.809 HG22 HG22 ' A' ' 10' ' ' VAL . 5.6 t -62.8 -52.11 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.719 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.62 -21.0 62.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.863 -175.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -68.86 -44.53 73.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.43 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 57.5 mt -69.07 -28.94 66.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.857 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.13 -35.77 81.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.442 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 37.2 t -70.23 -46.68 63.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.559 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.698 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.1 OUTLIER -70.35 -32.99 70.93 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.354 176.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 7.7 m-20 -56.53 -45.68 81.03 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 170.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -58.72 -39.43 80.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.606 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -74.79 -49.04 22.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.669 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 23.7 mt -56.61 -53.11 61.4 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.04 0.448 . . . . 0.0 110.104 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 0.5 OUTLIER -54.14 -43.96 70.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.214 -177.043 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 30.3 m-80 -76.24 -30.42 57.88 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.085 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.53 -37.95 86.12 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 20' ' ' LEU . 96.8 t -61.62 -44.43 98.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.001 174.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.15 83.08 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.176 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.582 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 36.5 mmt180 -63.47 -55.61 22.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.208 177.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 6.3 mp -60.41 -37.64 81.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.651 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.548 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 0.3 OUTLIER -62.93 -29.64 70.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 110.459 -177.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -84.48 -26.87 27.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.261 0.553 . . . . 0.0 110.1 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 89.6 mt -78.12 -39.55 40.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.387 -176.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 30' ' ' LEU . 10.5 p -80.94 -11.02 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.856 0.836 . . . . 0.0 109.77 174.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.59 54.26 5.56 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.657 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.698 -179.862 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p -131.55 -12.09 3.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.636 0.255 . . . . 0.0 111.597 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.8 mmm -57.53 -56.64 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.015 -170.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -70.55 -20.92 62.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -173.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -38.14 16.71 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 10' ' ' VAL . 3.9 mm? -65.63 -46.82 77.78 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.01 172.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 46.3 mt-10 -59.43 -33.51 71.34 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.793 175.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 6.3 m-20 -56.28 -40.14 73.8 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.686 174.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.48 -42.01 62.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.722 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.783 HG22 HG22 ' B' ' 10' ' ' VAL . 12.7 t -57.12 -59.07 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.478 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 12.7 pt-20 -70.47 -15.82 62.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.36 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -68.63 -43.78 75.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.306 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.2 -29.31 62.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.089 175.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 16.6 tp -63.63 -34.58 78.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.191 175.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -66.83 -36.45 82.38 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.179 -0.918 . . . . 0.0 108.88 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 41.5 mtmt -69.37 -41.82 76.03 Favored 'General case' 0 C--O 1.206 -1.214 0 C-N-CA 120.012 -0.675 . . . . 0.0 109.521 173.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -54.61 -38.02 66.3 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -64.89 -63.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.662 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 48.5 m-70 -66.08 -39.35 89.97 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.145 -174.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.606 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 36.8 tp -70.09 -33.69 72.2 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 123.037 0.535 . . . . 0.0 110.5 -176.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' HB2' HD21 ' B' ' 20' ' ' LEU . 30.1 tt0 -75.91 -31.28 59.1 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -61.72 -32.22 72.43 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 15.7 mm-40 -69.47 -50.45 45.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.787 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.561 HG21 HD12 ' B' ' 20' ' ' LEU . 91.1 t -55.51 -50.79 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.263 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.72 -41.83 82.56 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.409 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.571 ' HE ' ' HA ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER -66.37 -51.38 57.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.248 179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.653 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 2.7 mp -60.11 -42.96 95.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.069 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.56 -25.69 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.25 -175.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -72.73 -38.85 67.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.39 -32.7 60.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.592 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.7 t -73.24 -24.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 171.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.29 -51.58 51.44 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.423 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.351 -179.863 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.5 p -131.12 -11.98 3.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.658 0.266 . . . . 0.0 111.592 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.401 ' O ' ' HG3' ' B' ' 7' ' ' GLU . 97.3 mmm -57.61 -56.64 19.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.14 -170.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -70.58 -20.94 62.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.24 -38.09 16.64 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.599 ' O ' HG23 ' B' ' 10' ' ' VAL . 3.9 mm? -65.57 -46.74 78.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.028 172.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 46.3 mt-10 -59.66 -33.41 71.52 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.867 175.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 6.3 m-20 -56.57 -39.51 73.6 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.655 174.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.88 -41.94 61.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.783 HG22 HG22 ' A' ' 10' ' ' VAL . 12.8 t -57.17 -59.18 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.45 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 12.8 pt-20 -70.38 -16.08 62.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.305 -175.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' B' ' 8' ' ' ASP . 0.2 OUTLIER -68.4 -43.77 76.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.219 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 78.0 mt -73.08 -29.4 62.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.14 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.452 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 16.6 tp -63.44 -34.92 78.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.151 175.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -66.39 -36.68 83.45 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.932 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -69.26 -41.96 76.22 Favored 'General case' 0 C--O 1.204 -1.317 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.515 173.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -54.69 -37.74 66.17 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -65.07 -63.16 1.17 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.695 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.544 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 49.3 m-70 -66.01 -39.4 90.23 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -174.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.606 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 36.5 tp -70.0 -33.76 72.45 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.089 0.555 . . . . 0.0 110.507 -176.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.488 ' HB2' HD21 ' A' ' 20' ' ' LEU . 30.0 tt0 -75.78 -31.47 59.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -61.34 -32.5 72.39 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 17.0 mm-40 -69.35 -50.62 44.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.776 175.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.565 HG21 HD12 ' A' ' 20' ' ' LEU . 89.7 t -55.33 -50.85 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.274 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.2 82.6 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.437 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.568 ' HA ' ' HE ' ' B' ' 26' ' ' ARG . 1.1 tpm_? -66.17 -51.41 58.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.165 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.653 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 2.6 mp -59.99 -42.68 94.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.131 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' HD3' HD21 ' A' ' 27' ' ' LEU . 21.8 tptp -64.16 -24.88 67.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.237 -175.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -73.21 -39.16 65.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.104 0.478 . . . . 0.0 110.372 175.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.13 -33.0 61.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.488 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -73.29 -24.06 20.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 171.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.55 -52.23 44.98 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.42 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.191 -179.865 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 112.238 -0.345 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 p -55.7 -41.95 74.5 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.6 mmt -56.79 -48.45 77.89 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.478 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -73.94 -13.9 60.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 28.4 mt-30 -95.79 -43.48 7.85 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -177.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.543 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 4.2 mm? -69.37 -45.34 69.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.837 175.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.04 -29.7 70.1 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.68 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -29.74 70.72 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.986 173.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 64.0 mttm -74.75 -43.0 57.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.953 0.406 . . . . 0.0 110.09 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.737 HG22 HG22 ' B' ' 10' ' ' VAL . 8.4 t -60.16 -56.33 18.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.444 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.79 -19.11 64.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.057 -176.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.1 -46.1 75.22 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 79.8 mt -69.99 -26.14 63.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.05 175.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 tp -66.96 -34.23 77.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.999 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 18' ' ' TYR . 32.3 t -72.15 -41.64 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.332 -177.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HG2' ' HA ' ' A' ' 13' ' ' LEU . 19.7 ptmt -73.34 -36.93 66.26 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.478 175.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 8.0 m-20 -54.81 -38.2 67.06 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 171.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.45 ' HB3' ' O ' ' A' ' 15' ' ' SER . 89.2 t80 -61.42 -53.97 49.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.538 176.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.564 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 40.4 m80 -73.08 -34.28 66.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.697 -176.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.714 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 28.4 tp -68.57 -32.91 73.16 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 122.782 0.433 . . . . 0.0 110.038 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -70.9 -35.66 72.41 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.157 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 14.6 m120 -57.48 -42.16 82.09 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 7.8 mm-40 -61.81 -47.75 83.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.354 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.529 HG21 HD12 ' B' ' 20' ' ' LEU . 89.6 t -60.17 -48.1 89.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 178.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.12 87.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.596 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -67.02 -45.22 78.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 5.2 mp -62.47 -38.86 91.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -60.56 -27.26 67.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.374 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -73.81 -37.11 65.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.229 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mp -79.07 -42.11 27.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.171 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.8 t -73.17 -25.05 21.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.812 0.815 . . . . 0.0 109.263 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.35 -54.9 11.3 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.87 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.707 -0.664 . . . . 0.0 110.692 -178.353 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.6 p -55.79 -41.52 74.23 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 122.492 0.317 . . . . 0.0 111.683 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.6 mmt -56.98 -48.73 77.71 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.418 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -73.69 -13.85 61.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -176.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.542 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 28.5 mt-30 -95.93 -43.38 7.84 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 4.2 mm? -69.43 -45.49 69.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.726 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.83 -30.05 70.61 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.66 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -29.56 70.56 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.923 173.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 64.2 mttm -74.93 -42.74 57.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 10' ' ' VAL . 9.2 t -60.3 -56.55 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.417 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.53 -18.91 64.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.164 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.16 -46.17 74.82 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.494 ' HA ' ' HG2' ' B' ' 16' ' ' LYS . 79.8 mt -70.06 -26.06 63.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.089 175.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -66.97 -34.31 77.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.009 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' B' ' 18' ' ' TYR . 29.6 t -72.39 -41.38 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.34 -177.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.494 ' HG2' ' HA ' ' B' ' 13' ' ' LEU . 19.5 ptmt -73.49 -36.66 65.83 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.513 175.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 8.0 m-20 -54.94 -38.21 67.43 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 171.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' B' ' 15' ' ' SER . 89.0 t80 -61.45 -53.58 54.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.604 176.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.566 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 40.0 m80 -73.64 -34.41 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.609 -176.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.714 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 29.7 tp -68.45 -32.92 73.28 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 122.745 0.418 . . . . 0.0 109.967 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 0.7 OUTLIER -71.02 -35.17 71.93 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.107 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' B' ' 19' ' ' HIS . 14.8 m120 -57.81 -42.33 84.03 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 173.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 7.6 mm-40 -61.58 -47.84 83.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.407 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 20' ' ' LEU . 90.2 t -60.15 -48.11 89.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.77 87.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.652 -175.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -67.28 -45.01 77.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 5.2 mp -62.82 -38.89 92.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.695 177.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.401 ' HG2' HD21 ' A' ' 27' ' ' LEU . 61.5 mmtt -60.51 -27.48 67.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.485 178.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -73.55 -37.52 65.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.063 0.459 . . . . 0.0 110.267 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.65 -41.91 30.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.233 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -73.19 -25.63 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.719 0.771 . . . . 0.0 109.157 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.61 -55.81 11.07 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 114.787 -1.097 . . . . 0.0 112.687 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.532 -178.364 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 p -136.72 -35.17 0.73 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.79 -0.241 . . . . 0.0 111.221 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -59.83 4.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.639 -174.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' HG3' ' NE2' ' A' ' 5' ' ' GLN . 9.8 ptpp? -85.98 -6.0 59.13 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.139 -176.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.439 ' NE2' ' HG3' ' A' ' 4' ' ' LYS . 1.8 mp0 -84.31 -48.33 9.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.441 0.639 . . . . 0.0 109.298 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.0 mm? -67.3 -44.2 79.84 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.767 174.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.57 -33.88 73.35 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.747 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 1.3 m-20 -57.22 -43.58 82.98 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.305 175.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -69.73 -39.46 76.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.704 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.985 HG22 HG22 ' B' ' 10' ' ' VAL . 9.6 t -60.1 -49.25 84.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.009 0.433 . . . . 0.0 110.018 178.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.27 -31.06 72.12 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.308 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 43.2 mt-10 -66.01 -42.8 89.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 110.232 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 mt -70.25 -30.02 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.0 174.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.4 -30.94 71.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.486 0.66 . . . . 0.0 109.851 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.9 m -74.42 -38.98 62.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.003 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.71 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 51.5 mtmt -69.9 -34.75 73.94 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.441 173.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.602 ' OD1' ' HE3' ' B' ' 16' ' ' LYS . 7.5 m-80 -59.15 -36.27 74.96 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 173.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -64.95 -51.39 62.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.233 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -63.4 -54.87 29.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.765 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 27.8 mt -58.65 -56.68 19.06 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 120.972 0.415 . . . . 0.0 110.559 -176.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HB2' HD13 ' B' ' 20' ' ' LEU . 12.6 tt0 -58.07 -38.61 76.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.058 -175.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -70.94 -34.18 71.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.584 0.23 . . . . 0.0 110.717 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -41.12 79.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.694 177.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 20' ' ' LEU . 45.7 t -58.54 -49.01 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.543 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -60.62 -41.81 95.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.062 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -63.29 -51.69 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.147 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.8 mp -61.29 -37.07 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -63.64 -26.52 68.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.964 -178.528 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 25' ' ' ALA . 67.6 mttm -73.51 -35.64 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.078 0.466 . . . . 0.0 110.327 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.55 -36.97 65.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.648 177.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.417 ' O ' HG12 ' A' ' 31' ' ' VAL . 12.3 t -89.42 26.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 122.269 1.033 . . . . 0.0 108.668 172.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -116.08 -38.32 0.96 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.078 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.505 -0.759 . . . . 0.0 109.501 175.786 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.0 p -136.78 -35.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.578 0.228 . . . . 0.0 111.125 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -60.11 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.657 -174.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.442 ' HG3' ' NE2' ' B' ' 5' ' ' GLN . 9.7 ptpp? -85.95 -5.64 59.19 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 120.762 0.315 . . . . 0.0 111.144 -175.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.442 ' NE2' ' HG3' ' B' ' 4' ' ' LYS . 1.8 mp0 -84.62 -48.08 9.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.655 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.0 mm? -67.41 -44.31 79.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.739 174.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.63 -33.78 73.3 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.66 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 1.2 m-20 -57.26 -43.35 82.93 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.29 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -69.88 -39.48 76.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.708 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.985 HG22 HG22 ' A' ' 10' ' ' VAL . 10.2 t -60.02 -49.11 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 121.226 0.536 . . . . 0.0 109.979 178.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.51 -31.16 72.24 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.238 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 43.1 mt-10 -65.93 -42.88 89.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.863 0.363 . . . . 0.0 110.185 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 57.4 mt -70.38 -29.92 66.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.942 175.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.35 -30.94 71.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.359 0.6 . . . . 0.0 109.766 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 32.4 m -74.27 -39.35 63.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.019 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.71 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 51.4 mtmt -69.71 -34.69 74.24 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.423 173.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.616 ' OD1' ' HE3' ' A' ' 16' ' ' LYS . 7.5 m-80 -59.07 -36.55 75.27 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -64.69 -51.46 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.176 174.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -63.45 -54.87 29.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.754 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 27.9 mt -58.71 -56.59 20.24 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 120.947 0.403 . . . . 0.0 110.579 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.411 ' HB2' HD13 ' A' ' 20' ' ' LEU . 13.0 tt0 -58.32 -38.17 76.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.1 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -71.01 -34.31 71.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.547 0.213 . . . . 0.0 110.733 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.9 -40.87 78.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.673 177.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 20' ' ' LEU . 45.0 t -58.71 -49.1 83.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.971 0.415 . . . . 0.0 110.004 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -60.36 -41.88 94.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.106 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -63.34 -51.8 64.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.023 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.8 mp -61.2 -37.24 82.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -63.39 -26.47 68.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -178.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 25' ' ' ALA . 67.7 mttm -73.53 -35.77 65.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 0.0 110.331 177.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -73.5 -36.65 65.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.749 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.419 HG12 ' O ' ' B' ' 31' ' ' VAL . 12.3 t -89.61 25.96 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 122.267 1.032 . . . . 0.0 108.587 171.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -116.62 -37.45 0.99 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.17 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.519 -0.753 . . . . 0.0 109.765 175.461 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 p -127.5 -12.1 5.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.621 0.21 . . . . 0.0 111.397 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.8 mmt -57.82 -56.81 17.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.31 -173.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -72.46 -20.59 61.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.518 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -87.18 -45.84 10.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.126 0.489 . . . . 0.0 109.989 -174.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 10' ' ' VAL . 3.9 mm? -66.44 -43.07 86.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.02 -30.0 70.95 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.648 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.28 -43.05 82.78 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.491 173.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.23 -41.22 81.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.96 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.828 HG22 HG22 ' B' ' 10' ' ' VAL . 7.5 t -59.54 -52.44 60.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.133 0.492 . . . . 0.0 110.046 178.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . 44.8 tt0 -69.46 -20.82 63.75 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.194 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.53 -39.29 70.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.482 ' HB3' ' ND2' ' B' ' 17' ' ' ASN . 60.6 mt -74.3 -24.26 59.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.131 172.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 19.7 tp -69.16 -37.09 78.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.9 p -74.34 -34.38 63.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.981 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.696 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -76.36 -32.14 58.45 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.793 173.219 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' B' ' 13' ' ' LEU . 11.5 m-20 -57.11 -39.12 74.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 171.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.24 -47.68 83.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.9 173.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.506 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 21.4 t-80 -60.1 -52.87 63.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.419 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 20.2 mt -59.25 -51.3 70.57 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.862 0.363 . . . . 0.0 110.227 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 4.0 mt-10 -52.94 -44.28 66.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.241 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.89 -35.84 79.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 178.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 23.7 mm-40 -65.83 -46.07 79.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.579 177.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 20' ' ' LEU . 32.1 t -61.44 -45.26 99.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.235 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.33 88.14 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.364 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 4.2 mmp_? -66.09 -48.5 70.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.731 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.555 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.7 mp -61.24 -37.95 84.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' HG2' HD21 ' B' ' 27' ' ' LEU . 49.4 mmtt -60.48 -28.64 68.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.341 177.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -72.4 -36.35 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.817 0.341 . . . . 0.0 110.577 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -78.38 -39.07 40.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -76.24 -25.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.687 0.756 . . . . 0.0 109.209 174.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.48 -63.06 2.71 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 114.804 -1.089 . . . . 0.0 112.77 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.541 -176.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.3 p -127.08 -12.16 5.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.589 0.233 . . . . 0.0 111.552 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 29.0 mmt -57.89 -56.5 21.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.531 -173.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -72.98 -20.36 61.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.332 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -87.14 -45.97 10.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.149 0.5 . . . . 0.0 110.018 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.569 ' O ' HG23 ' B' ' 10' ' ' VAL . 3.9 mm? -66.56 -43.03 86.16 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.91 -29.82 70.79 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.727 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.27 -43.49 83.14 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.498 173.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -67.86 -41.07 83.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.991 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.828 HG22 HG22 ' A' ' 10' ' ' VAL . 8.0 t -59.78 -52.48 60.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.093 0.473 . . . . 0.0 109.919 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.428 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 44.8 tt0 -69.19 -21.0 63.99 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.352 -177.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.31 -39.34 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.459 ' HB3' ' ND2' ' A' ' 17' ' ' ASN . 60.9 mt -74.41 -24.26 59.08 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.114 172.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.428 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 19.6 tp -69.03 -36.98 78.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.95 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.6 p -74.18 -34.75 63.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.7 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.4 OUTLIER -76.2 -32.1 58.8 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.844 173.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.482 ' ND2' ' HB3' ' A' ' 13' ' ' LEU . 11.8 m-20 -57.2 -38.77 74.18 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 171.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.47 -47.75 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.836 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.498 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 21.4 t-80 -59.94 -52.95 63.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.382 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 20.1 mt -59.09 -51.43 70.07 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.872 0.368 . . . . 0.0 110.226 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 3.9 mt-10 -52.85 -44.32 66.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.17 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.07 -35.59 78.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 24.1 mm-40 -66.08 -45.94 79.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.59 177.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 20' ' ' LEU . 32.0 t -61.56 -45.28 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.189 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.34 88.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.455 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.548 ' HA ' ' NE ' ' B' ' 26' ' ' ARG . 4.3 mmp_? -65.82 -48.86 70.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.714 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.8 mp -61.11 -37.67 83.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.225 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.509 ' HG2' HD21 ' A' ' 27' ' ' LEU . 49.7 mmtt -60.62 -28.8 68.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.286 177.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -72.26 -36.48 69.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.751 0.31 . . . . 0.0 110.671 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -78.1 -39.82 40.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.969 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.3 t -75.54 -25.08 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.574 0.702 . . . . 0.0 109.202 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.49 -62.55 2.85 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.892 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.872 -176.703 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.797 -0.521 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 p -95.24 -66.78 0.89 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -177.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -40.29 -60.24 1.12 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -169.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -16.48 58.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.541 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 2.3 mp0 -99.45 -41.98 7.15 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -174.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 10' ' ' VAL . 61.9 mt -69.03 -46.08 68.83 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.158 176.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.97 -32.82 74.73 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.0 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -57.69 -46.46 84.29 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.398 173.346 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 95.9 mttt -59.97 -44.38 94.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.829 HG22 HG22 ' B' ' 10' ' ' VAL . 5.3 t -57.64 -54.03 36.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.611 -178.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -68.68 -29.15 67.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.72 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 46.0 mt-10 -65.25 -43.85 90.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.016 0.436 . . . . 0.0 110.11 176.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.66 -25.58 63.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.007 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.73 -36.57 80.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.935 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.5 m -69.89 -36.38 75.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.601 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.697 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 22.6 mtpp -68.22 -38.18 81.62 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.849 172.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.589 ' OD1' ' HE3' ' B' ' 16' ' ' LYS . 7.8 m-80 -59.14 -38.51 79.84 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -61.05 -53.5 56.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.762 174.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -59.6 -53.36 58.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.719 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 24.5 mt -59.86 -56.87 16.42 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.824 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -58.59 -39.89 81.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.912 -176.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.84 -36.15 79.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.379 177.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.85 -40.85 83.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.178 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 20' ' ' LEU . 58.6 t -58.33 -49.87 80.48 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.884 176.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -58.9 -38.2 78.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.265 -178.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -66.51 -52.17 48.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.127 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.2 mp -60.34 -36.96 79.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -64.31 -25.47 68.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.922 -178.584 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 25' ' ' ALA . 62.4 mttp -78.06 -32.87 51.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.911 0.386 . . . . 0.0 110.519 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.23 -36.51 69.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.28 0.562 . . . . 0.0 109.523 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 t -91.58 31.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.185 0.993 . . . . 0.0 108.539 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.23 -54.09 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.991 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.889 -0.577 . . . . 0.0 109.934 178.681 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -95.02 -67.1 0.87 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -40.01 -60.25 1.07 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -169.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -16.32 58.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -169.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 2.4 mp0 -99.53 -42.07 7.08 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -174.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.609 ' O ' HG23 ' B' ' 10' ' ' VAL . 61.6 mt -68.95 -46.09 69.06 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.87 -33.18 75.39 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.852 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 0.9 OUTLIER -57.53 -46.1 84.23 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.535 173.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 96.0 mttt -60.27 -44.23 95.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 10' ' ' VAL . 5.1 t -57.84 -54.08 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.579 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -68.47 -29.34 67.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.65 -174.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 46.0 mt-10 -65.3 -43.52 90.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.937 0.399 . . . . 0.0 110.101 176.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.92 -25.75 63.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.914 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.49 -36.81 81.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.878 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 20.4 m -69.91 -35.93 74.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.772 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.704 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 22.7 mtpp -68.79 -37.87 79.59 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.707 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.576 ' OD1' ' HE3' ' A' ' 16' ' ' LYS . 7.6 m-80 -59.16 -38.93 80.91 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 174.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -60.65 -53.61 55.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.806 174.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -59.56 -53.28 59.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.687 -177.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 24.3 mt -59.95 -56.76 17.77 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 120.78 0.324 . . . . 0.0 110.739 -178.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 0.4 OUTLIER -58.66 -39.89 81.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.848 -175.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -35.96 79.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.388 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -68.06 -41.0 82.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.166 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 20' ' ' LEU . 59.1 t -58.24 -49.73 80.81 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 CA-C-O 120.963 0.411 . . . . 0.0 110.012 175.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -59.08 -38.23 78.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.249 -178.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -66.46 -52.27 48.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.222 178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.2 mp -60.2 -37.18 79.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.942 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -64.1 -25.74 68.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 -178.49 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' B' ' 25' ' ' ALA . 62.5 mttp -77.69 -32.98 53.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.555 177.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.44 -35.8 68.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.157 0.503 . . . . 0.0 109.698 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.2 t -92.15 31.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 122.33 1.062 . . . . 0.0 108.547 171.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.11 -54.26 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.883 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.485 -0.769 . . . . 0.0 109.78 178.597 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 3.7 p -110.24 -35.9 5.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.708 0.254 . . . . 0.0 111.47 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.49 ' HA ' ' CD1' ' B' ' 6' ' ' LEU . 83.8 mtp -58.0 -53.67 55.58 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -170.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -82.38 -11.51 58.52 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.877 0.37 . . . . 0.0 111.192 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -95.76 -44.91 7.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.048 0.451 . . . . 0.0 109.837 -173.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 10' ' ' VAL . 21.1 mt -72.04 -37.14 69.77 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.65 -37.34 85.99 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.118 173.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.39 -32.9 73.78 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.949 175.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -70.2 -42.13 72.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.156 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.847 HG22 HG22 ' B' ' 10' ' ' VAL . 5.8 t -60.48 -48.99 86.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.342 0.591 . . . . 0.0 110.096 178.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -67.53 -26.66 66.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.785 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.03 -37.57 81.54 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.6 mt -64.6 -45.83 85.26 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 170.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HA ' ' HB2' ' A' ' 17' ' ' ASN . 2.9 tp -57.44 -22.09 41.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.075 0.464 . . . . 0.0 111.168 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -71.62 -47.07 57.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.076 176.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HD2' ' ND2' ' B' ' 17' ' ' ASN . 0.1 OUTLIER -77.44 -31.72 54.09 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.696 177.054 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.464 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . 5.7 m-20 -58.42 -37.41 75.31 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 171.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -60.72 -51.35 69.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.101 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -66.91 -46.39 74.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.744 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.657 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 6.9 tp -66.24 -35.11 79.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.384 0.674 . . . . 0.0 111.921 -177.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.77 -43.57 83.68 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.84 -0.537 . . . . 0.0 110.605 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 33.9 m-80 -69.91 -30.19 67.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.457 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.482 ' O ' HD13 ' A' ' 27' ' ' LEU . 37.5 tt0 -62.37 -45.35 93.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.094 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.539 HG23 HG23 ' B' ' 24' ' ' VAL . 24.6 t -60.26 -46.41 94.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.496 175.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.4 -44.58 76.32 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.649 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 98.4 mtt180 -61.29 -55.56 30.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 2.4 mp -58.39 -42.88 88.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.059 -178.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -61.09 -40.53 94.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.872 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -74.54 -21.91 59.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.597 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 82.4 mt -83.19 -31.68 26.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.316 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 27' ' ' LEU . 53.9 t -73.31 -28.26 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 170.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 26.57 19.86 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.247 175.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--O 1.244 0.794 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.248 -178.023 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 3.9 p -109.61 -35.7 6.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.476 0.179 . . . . 0.0 111.477 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.499 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 83.6 mtp -58.0 -53.93 52.68 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -170.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -81.91 -12.16 58.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.941 0.4 . . . . 0.0 111.232 -174.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -95.02 -45.42 7.25 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -173.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.62 ' O ' HG23 ' B' ' 10' ' ' VAL . 21.7 mt -71.6 -37.37 70.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.54 -37.43 86.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.081 173.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.52 -32.43 73.36 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.015 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -70.63 -41.96 71.51 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.847 HG22 HG22 ' A' ' 10' ' ' VAL . 5.7 t -60.32 -49.1 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.393 0.616 . . . . 0.0 110.152 178.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.49 -26.49 66.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.821 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.29 -37.48 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 13' ' ' LEU . 29.4 mt -64.74 -45.49 86.23 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 170.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.461 ' HA ' ' HB2' ' B' ' 17' ' ' ASN . 3.0 tp -57.54 -22.55 45.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.06 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.1 t -71.47 -46.92 58.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.949 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.41 -31.51 54.11 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.947 176.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.461 ' HB2' ' HA ' ' B' ' 14' ' ' LEU . 5.7 m-20 -58.73 -37.22 75.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 171.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -60.7 -51.51 69.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.085 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.82 -46.04 76.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.732 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.657 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 6.9 tp -66.76 -34.92 78.9 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.282 0.633 . . . . 0.0 111.855 -176.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.83 -43.34 84.0 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.792 -0.568 . . . . 0.0 110.605 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 35.4 m-80 -70.24 -29.98 66.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.996 0.427 . . . . 0.0 110.358 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.482 ' O ' HD13 ' B' ' 27' ' ' LEU . 37.6 tt0 -62.53 -45.18 94.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.063 176.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.539 HG23 HG23 ' A' ' 24' ' ' VAL . 24.5 t -60.62 -46.32 95.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.439 175.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.73 76.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.4 -177.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.491 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 98.4 mtt180 -61.27 -55.43 32.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.505 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 2.4 mp -58.54 -42.83 88.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.995 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -61.16 -40.59 94.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.887 -176.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -74.25 -22.31 59.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.67 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 80.9 mt -82.84 -31.99 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.331 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 27' ' ' LEU . 56.4 t -72.97 -28.43 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 170.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.94 26.8 18.26 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.157 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.158 -178.149 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 p -106.58 -52.03 2.85 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.85 -0.206 . . . . 0.0 111.387 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 32.7 mmt -55.75 -60.26 3.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -173.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -10.64 59.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -171.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 83.5 mm-40 -98.21 -44.87 6.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.17 0.51 . . . . 0.0 109.626 -176.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.3 mm? -68.17 -46.27 71.18 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.28 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 45.7 mt-10 -62.84 -35.03 78.59 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.656 177.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.661 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.23 -48.46 81.66 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.441 175.018 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 74.7 mmtt -60.35 -40.57 91.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.567 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.794 HG22 HG22 ' B' ' 10' ' ' VAL . 16.9 t -57.18 -49.31 80.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.245 0.545 . . . . 0.0 109.799 177.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 8.0 mm-40 -73.07 -18.92 61.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.332 -176.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 13.6 mm-40 -71.03 -39.97 72.02 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 176.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.6 mt -70.67 -29.5 65.83 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 172.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 14.2 tp -64.77 -27.64 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.296 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -71.05 -41.88 70.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.992 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.804 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 21.8 ptmt -78.38 -25.46 46.26 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.809 175.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.602 ' ND2' ' HG3' ' B' ' 16' ' ' LYS . 9.3 m120 -54.12 -48.43 70.77 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 167.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.22 -41.74 96.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.437 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -62.62 -49.25 75.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.241 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 25.0 mt -64.93 -45.36 86.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -53.07 -46.96 68.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.149 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.488 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 11.5 m120 -62.97 -41.48 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.55 176.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.15 -44.82 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.846 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 20' ' ' LEU . 65.5 t -60.32 -47.85 90.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.312 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.3 86.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.281 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 38.9 mmt180 -62.94 -49.78 73.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 110.446 178.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.8 mp -64.61 -39.75 94.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.23 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -65.97 -23.07 66.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.542 -178.569 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -73.08 -38.31 66.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.263 0.554 . . . . 0.0 109.824 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.61 -38.47 59.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.303 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 31' ' ' VAL . 12.9 t -87.61 29.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 122.356 1.074 . . . . 0.0 108.435 172.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.73 -16.88 1.24 Allowed Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.861 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.54 -179.11 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p -106.46 -52.16 2.83 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.779 -0.248 . . . . 0.0 111.413 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 32.5 mmt -55.53 -60.51 3.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -10.68 59.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -171.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 83.6 mm-40 -98.29 -44.88 6.38 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -176.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.674 ' O ' HG23 ' B' ' 10' ' ' VAL . 4.3 mm? -68.2 -46.35 70.87 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.305 175.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 45.0 mt-10 -62.63 -35.2 78.83 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.666 177.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.664 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 0.5 OUTLIER -60.16 -48.38 81.96 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.513 175.124 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 74.7 mmtt -60.3 -40.81 91.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.572 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.794 HG22 HG22 ' A' ' 10' ' ' VAL . 16.7 t -56.93 -49.43 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.385 0.612 . . . . 0.0 109.788 177.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 8.3 mm-40 -73.06 -18.94 61.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.353 -176.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' B' ' 8' ' ' ASP . 11.9 mm-40 -71.19 -39.6 71.7 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.054 0.454 . . . . 0.0 109.832 176.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 mt -70.94 -29.48 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 172.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.474 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 14.2 tp -64.8 -27.72 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.249 175.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 19.0 m -70.99 -41.7 70.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.821 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.807 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 21.9 ptmt -78.55 -25.17 45.37 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.771 175.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.596 ' ND2' ' HG3' ' A' ' 16' ' ' LYS . 9.0 m120 -54.47 -48.6 71.59 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 167.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -63.82 -41.81 97.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.595 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -62.69 -49.36 75.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.297 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 25.4 mt -64.82 -45.49 85.98 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -52.71 -47.34 67.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.159 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.491 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 11.8 m120 -62.87 -41.23 99.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.43 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -66.37 -44.46 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.879 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 20' ' ' LEU . 64.5 t -60.68 -47.72 91.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.315 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.8 -41.57 87.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.253 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 38.7 mmt180 -62.66 -50.03 72.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.484 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.8 mp -64.17 -40.09 95.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.223 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -65.53 -23.28 66.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.503 -178.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -73.14 -38.31 66.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.386 0.613 . . . . 0.0 109.86 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.46 -39.0 59.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.074 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.415 HG12 ' O ' ' B' ' 31' ' ' VAL . 12.2 t -87.09 29.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 122.381 1.086 . . . . 0.0 108.543 172.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.76 -16.95 1.23 Allowed Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.804 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.532 -179.476 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.738 -0.545 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -126.27 21.24 7.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.905 0.383 . . . . 0.0 110.99 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -30.09 70.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.073 -178.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 62.7 mttp -77.22 -4.94 47.32 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 14.9 mm-40 -99.6 -38.3 8.8 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.9 mp -60.99 -58.05 10.08 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 170.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.35 -37.54 81.03 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.698 -175.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.532 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -77.58 -40.27 42.83 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.418 -0.913 . . . . 0.0 112.213 -175.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -75.61 -39.13 58.37 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.585 -176.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 6' ' ' LEU . 29.4 t -67.19 -50.8 59.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.826 0.346 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . 46.0 mt-10 -68.62 -13.55 62.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.18 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.64 -46.37 72.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD12 HG12 ' B' ' 10' ' ' VAL . 58.4 mt -73.82 -24.35 59.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.411 175.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' CB ' ' HA ' ' A' ' 11' ' ' GLU . 23.8 tp -63.66 -33.31 75.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.25 0.548 . . . . 0.0 109.691 173.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.6 m -72.23 -35.02 68.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.659 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HB3' ' OD1' ' B' ' 17' ' ' ASN . 3.1 mtmm -67.71 -48.14 67.39 Favored 'General case' 0 C--O 1.208 -1.125 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.253 172.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 39.8 m-80 -53.33 -36.66 61.54 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -61.82 -58.13 9.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.372 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -68.28 -38.18 81.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.671 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 35.0 tp -68.4 -34.12 75.46 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 122.869 0.468 . . . . 0.0 110.681 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 1.4 tm-20 -75.41 -33.36 60.95 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -62.51 -37.18 85.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 173.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -67.86 -38.42 83.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.057 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.536 HG21 ' CD1' ' B' ' 20' ' ' LEU . 55.6 t -60.65 -48.17 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.704 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.09 -38.81 84.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.7 -55.09 39.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.099 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.71 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 6.0 mp -61.79 -38.96 90.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.361 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -58.56 -44.4 89.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.815 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -74.46 -15.43 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 110.778 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 27' ' ' LEU . 69.4 mt -86.45 -33.52 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.411 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.1 t -75.62 -29.67 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 170.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.82 -59.28 4.83 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.645 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.921 -0.562 . . . . 0.0 110.708 -177.331 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -125.91 21.16 7.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.95 0.405 . . . . 0.0 111.026 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -30.06 70.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.101 -178.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 62.9 mttp -77.33 -5.0 47.96 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.737 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -99.5 -38.37 8.81 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.659 ' O ' HG23 ' B' ' 10' ' ' VAL . 6.9 mp -61.0 -58.12 9.77 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 170.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.17 -37.66 80.82 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.757 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.536 ' HB2' ' O ' ' B' ' 4' ' ' LYS . 0.6 OUTLIER -77.7 -39.73 43.69 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.39 -175.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -75.87 -39.22 56.94 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.421 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.659 HG23 ' O ' ' B' ' 6' ' ' LEU . 29.5 t -67.18 -50.56 62.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.846 0.355 . . . . 0.0 110.277 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.491 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 45.8 mt-10 -68.9 -13.52 62.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 -178.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.58 -46.26 73.18 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.957 -0.756 . . . . 0.0 108.957 173.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.417 HD12 HG12 ' A' ' 10' ' ' VAL . 57.9 mt -73.88 -24.11 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.469 175.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.491 ' CB ' ' HA ' ' B' ' 11' ' ' GLU . 23.8 tp -64.13 -32.94 74.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.349 0.595 . . . . 0.0 109.665 173.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.0 m -72.1 -35.3 69.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.616 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.442 ' HB3' ' OD1' ' A' ' 17' ' ' ASN . 3.1 mtmm -67.7 -47.94 67.96 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.334 172.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.469 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 39.6 m-80 -53.46 -37.04 62.27 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -61.4 -58.35 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.342 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -68.26 -37.92 81.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.439 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.671 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 35.1 tp -68.68 -33.92 74.79 Favored 'General case' 0 N--CA 1.438 -1.073 0 C-N-CA 122.807 0.443 . . . . 0.0 110.721 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 1.4 tm-20 -75.63 -33.02 60.46 Favored 'General case' 0 C--N 1.334 -0.089 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -62.64 -37.37 86.09 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -67.6 -38.54 84.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.117 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.538 HG21 ' CD1' ' A' ' 20' ' ' LEU . 55.5 t -60.71 -48.18 89.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.675 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.92 84.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -57.48 -55.02 40.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.139 175.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.71 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 6.0 mp -61.82 -39.0 90.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.389 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -58.57 -44.51 89.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.744 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -74.19 -16.01 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.708 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 27' ' ' LEU . 69.3 mt -85.94 -33.63 21.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.308 179.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.71 -29.6 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 170.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.63 -60.11 4.48 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.438 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.512 -177.032 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 p -161.39 -54.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.553 0.215 . . . . 0.0 111.311 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 44.1 tpp -54.59 -52.64 61.52 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -171.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 45.1 mmtm -91.05 -9.37 46.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.753 0.311 . . . . 0.0 111.69 -175.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -98.49 -43.08 7.02 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.118 0.485 . . . . 0.0 109.999 -174.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 10' ' ' VAL . 65.2 mt -75.16 -41.08 58.89 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.433 ' HG3' HD13 ' B' ' 6' ' ' LEU . 27.5 mt-10 -63.8 -36.75 84.94 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.983 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -66.78 -24.75 66.23 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.881 176.761 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -76.15 -40.02 53.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.848 HG22 HG22 ' B' ' 10' ' ' VAL . 6.6 t -61.41 -51.52 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.258 0.551 . . . . 0.0 110.134 177.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.21 -27.0 66.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.175 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.7 -45.13 91.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.4 -50.5 71.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.293 171.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tp -49.37 -32.39 11.33 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.745 0.653 . . . . 0.0 111.492 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.8 m -69.86 -47.18 63.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.501 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -30.28 48.58 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.166 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -54.78 -43.18 72.59 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 171.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -57.46 -50.69 72.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.237 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -70.24 -45.42 66.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.619 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.645 ' HG ' ' HG ' ' B' ' 20' ' ' LEU . 6.0 tp -61.82 -36.4 81.04 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.41 0.684 . . . . 0.0 111.344 -178.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.78 -37.86 58.82 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.812 -0.555 . . . . 0.0 110.161 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -68.3 -29.6 68.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.131 0.491 . . . . 0.0 109.819 174.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -65.52 -43.63 89.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.258 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 HG23 ' B' ' 24' ' ' VAL . 37.4 t -59.44 -45.12 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.128 174.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.72 87.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.392 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.6 -47.44 78.63 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.513 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 4.6 mp -62.06 -38.8 90.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.925 178.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HG2' HD21 ' B' ' 27' ' ' LEU . 27.0 mmtp -61.06 -24.59 66.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.755 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -77.73 -36.55 50.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.083 0.468 . . . . 0.0 110.271 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.32 -36.69 53.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.586 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.93 -23.99 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.7 -58.9 6.49 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.064 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.609 178.591 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.8 p -161.84 -55.1 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.644 0.222 . . . . 0.0 111.394 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' B' ' 7' ' ' GLU . 44.0 tpp -54.33 -52.72 60.65 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -171.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 45.3 mmtm -90.97 -9.42 46.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.846 0.355 . . . . 0.0 111.689 -175.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -98.53 -42.88 7.09 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.138 0.494 . . . . 0.0 110.062 -174.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.606 ' O ' HG23 ' B' ' 10' ' ' VAL . 64.8 mt -75.37 -40.89 57.6 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.435 ' HG3' HD13 ' A' ' 6' ' ' LEU . 27.9 mt-10 -64.01 -36.75 85.02 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.964 175.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' B' ' 4' ' ' LYS . 0.2 OUTLIER -66.81 -24.71 66.2 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.761 176.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -76.33 -39.9 52.8 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.848 HG22 HG22 ' A' ' 10' ' ' VAL . 6.4 t -61.59 -51.28 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 121.244 0.545 . . . . 0.0 110.091 177.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.3 -27.12 66.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.091 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.43 -45.57 90.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.15 -50.43 71.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.326 171.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tp -49.64 -31.91 11.9 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.658 0.599 . . . . 0.0 111.5 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.6 m -69.93 -47.42 62.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.46 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -30.52 48.42 Favored 'General case' 0 C--O 1.212 -0.899 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.031 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -54.73 -42.81 72.0 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -57.79 -50.72 72.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.112 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -70.14 -45.62 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.515 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.645 ' HG ' ' HG ' ' A' ' 20' ' ' LEU . 6.0 tp -61.72 -36.47 81.02 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.584 0.754 . . . . 0.0 111.366 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.79 -37.63 59.01 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.767 -0.583 . . . . 0.0 110.187 179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.87 -28.92 67.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.224 0.535 . . . . 0.0 109.875 175.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -65.79 -43.95 87.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.17 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.437 HG23 HG23 ' A' ' 24' ' ' VAL . 37.8 t -59.34 -45.16 93.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.143 174.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.75 87.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.379 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.5 -47.31 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.105 0.478 . . . . 0.0 109.736 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 4.7 mp -62.26 -38.85 90.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.985 177.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' HG2' HD21 ' A' ' 27' ' ' LEU . 27.0 mmtp -60.59 -25.44 66.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.722 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -77.1 -36.53 55.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.937 0.399 . . . . 0.0 110.398 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.35 -36.76 53.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.485 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.94 -23.84 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.08 -58.35 6.79 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.168 176.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.706 178.433 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -142.69 -62.19 0.43 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.584 0.231 . . . . 0.0 110.832 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.2 mmm -53.76 -58.17 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.124 -173.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -83.93 -10.62 57.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.596 0.236 . . . . 0.0 111.509 -173.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 24.1 mm-40 -87.98 -45.42 10.23 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.618 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 3.0 mm? -67.06 -42.35 84.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.278 -0.873 . . . . 0.0 108.692 172.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.81 -33.16 70.06 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.423 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 4.2 m-20 -56.4 -42.74 78.43 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.296 174.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -73.6 -38.19 65.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.077 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.872 HG22 HG22 ' B' ' 10' ' ' VAL . 11.5 t -58.65 -55.25 24.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.937 0.398 . . . . 0.0 110.28 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.28 -20.9 63.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.824 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.47 -41.78 72.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.7 mt -71.53 -26.75 62.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.866 172.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 17' ' ' ASN . 17.3 tp -65.67 -26.69 67.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.909 175.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.4 m -71.06 -44.87 64.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.878 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.718 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 31.9 mtmm -68.18 -37.05 80.55 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.719 173.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.559 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 6.0 m-80 -52.53 -46.58 66.81 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 173.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -61.9 -48.61 79.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.488 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 26.9 m80 -66.9 -51.65 52.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.048 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 39.3 mt -57.78 -52.93 63.43 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.273 0.558 . . . . 0.0 110.068 -178.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 9.0 tt0 -57.52 -39.01 75.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.425 -177.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.592 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 6.0 m-20 -68.15 -41.88 80.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.671 175.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 11.6 mm-40 -62.33 -41.29 98.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.859 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 20' ' ' LEU . 37.0 t -60.35 -41.25 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.962 0.411 . . . . 0.0 110.026 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.56 92.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.592 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 35.6 mmt180 -60.72 -52.81 63.54 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.138 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.699 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 6.2 mp -61.89 -36.87 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.753 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -58.41 -40.69 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.253 0.549 . . . . 0.0 109.93 -179.383 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -76.62 -18.77 58.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.506 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 81.7 mt -89.12 -27.66 20.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.44 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' LEU . 57.9 t -73.03 -23.8 20.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 169.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.42 22.28 51.65 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.242 175.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--O 1.243 0.755 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.167 -177.66 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -142.02 -62.6 0.45 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.63 0.253 . . . . 0.0 110.807 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 92.8 mmm -53.4 -58.74 6.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.098 -173.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -83.48 -10.74 58.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.64 0.257 . . . . 0.0 111.63 -173.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 23.3 mm-40 -88.07 -44.88 10.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.419 0.628 . . . . 0.0 109.462 -178.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 3.0 mm? -67.34 -42.38 83.63 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.714 172.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.98 -32.85 70.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.432 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' B' ' 5' ' ' GLN . 4.0 m-20 -56.76 -42.39 79.3 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.01 0.433 . . . . 0.0 110.313 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -73.54 -38.77 65.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.109 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.872 HG22 HG22 ' A' ' 10' ' ' VAL . 11.5 t -58.3 -55.18 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-O 120.92 0.391 . . . . 0.0 110.218 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.405 ' HA ' ' CB ' ' B' ' 14' ' ' LEU . 38.2 tt0 -70.35 -21.17 62.92 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.728 -176.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.3 -41.79 72.88 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 mt -71.39 -26.84 62.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.938 172.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.489 ' HA ' ' HB2' ' B' ' 17' ' ' ASN . 17.3 tp -65.74 -26.7 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.343 0.592 . . . . 0.0 109.882 175.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 19.9 m -71.21 -44.48 65.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.962 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.72 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 32.0 mtmm -68.35 -36.99 80.05 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.76 173.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.543 ' OD1' ' HE2' ' A' ' 16' ' ' LYS . 6.0 m-80 -52.64 -46.67 67.21 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 173.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -61.78 -48.66 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.725 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 27.0 m80 -66.84 -51.68 52.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.01 -175.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' B' ' 16' ' ' LYS . 39.6 mt -57.9 -52.89 63.62 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.253 0.549 . . . . 0.0 110.095 -178.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 9.0 tt0 -57.51 -38.87 75.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.544 -177.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.588 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 5.9 m-20 -68.19 -41.92 80.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.76 175.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 11.9 mm-40 -62.12 -41.58 98.38 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.812 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 20' ' ' LEU . 36.8 t -60.18 -41.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.104 0.478 . . . . 0.0 110.056 177.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.82 91.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.933 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 35.4 mmt180 -60.52 -52.95 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.021 0.439 . . . . 0.0 110.075 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.699 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 6.2 mp -61.7 -36.76 81.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.737 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.528 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -58.66 -40.46 83.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.265 0.555 . . . . 0.0 109.895 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -77.1 -18.48 57.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 82.9 mt -89.06 -28.02 20.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.324 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 27' ' ' LEU . 58.0 t -72.86 -23.86 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 169.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.32 22.67 50.78 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.165 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.159 -177.809 . . . . . . . . 0 0 . 1 stop_ save_