data_2lba_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 2lba _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.743 0.306 . . . . 2.16 110.814 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.531 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 2.0 m -58.12 127.84 34.13 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.97 0.414 . . . . 1.02 111.981 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.47 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 139.59 174.98 13.92 Favored Glycine 0 N--CA 1.438 -1.183 0 C-N-CA 120.401 -0.904 . . . . 0.24 112.333 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 141.27 28.66 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.199 -0.667 . . . . 2.15 109.199 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 66.1 m-85 -123.4 139.96 53.49 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.375 -0.375 . . . . 2.2 110.124 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -127.65 143.79 51.13 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 110.03 -0.359 . . . . 1.41 110.03 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -49.52 124.53 9.58 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.925 0.765 . . . . 2.7 111.754 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.51 -51.65 2.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.701 . . . . 1.46 110.71 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 m -151.09 169.93 20.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.94 -0.573 . . . . 1.28 111.051 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.505 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -158.1 163.76 37.31 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 110.014 -0.365 . . . . 1.72 110.014 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -147.79 138.08 22.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 1.44 109.954 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 61.34 34.81 18.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.135 -0.939 . . . . 1.16 112.195 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.505 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 10.9 t80 -61.95 -59.15 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.627 0.251 . . . . 2.27 111.295 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.431 ' HA ' HG23 ' A' ' 18' ' ' VAL . 6.8 m-20 -61.7 -39.02 89.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 1.3 111.484 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -43.21 99.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.121 0.486 . . . . 1.46 110.484 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.475 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 72.0 t80 -64.28 -53.04 55.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.468 -0.787 . . . . 2.15 110.964 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.431 HG23 ' HA ' ' A' ' 15' ' ' ASP . 35.3 m -61.22 -35.86 68.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 1.08 111.449 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -69.46 -28.46 66.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.692 0.282 . . . . 1.67 111.655 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HG3' ' CG2' ' A' ' 117' ' ' VAL . 18.2 mmmt -82.42 -46.52 13.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.629 0.252 . . . . 1.53 111.598 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 17' ' ' PHE . 30.4 pt -69.54 -9.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.429 . . . . 1.06 111.056 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.39 37.97 53.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.938 -0.649 . . . . 0.42 112.974 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -71.53 133.73 84.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.621 -0.511 . . . . 1.11 109.621 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -66.62 139.56 53.55 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.307 2.005 . . . . 0.4 111.603 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.22 57.29 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.97 -0.559 . . . . 1.12 111.742 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.31 -37.36 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.585 -0.734 . . . . 2.03 111.631 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -89.03 -33.02 17.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.56 -0.291 . . . . 1.47 111.207 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -56.8 -62.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.839 -0.619 . . . . 1.13 111.875 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 4.2 mm-40 -68.28 -18.63 64.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 1.73 111.091 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.0 tpt -75.91 -42.7 48.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.796 -0.638 . . . . 1.63 109.617 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -100.27 32.23 7.56 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.659 -0.701 . . . . 0.51 113.905 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HD2' ' OE1' ' A' ' 29' ' ' GLU . 9.3 ptm180 -123.36 141.15 52.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.765 0.782 . . . . 2.94 111.351 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.35 19.98 10.68 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.609 -0.723 . . . . 2.14 111.495 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.56 150.63 22.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.406 -0.361 . . . . 1.22 110.598 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 pttt -76.44 83.08 3.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.029 -0.532 . . . . 3.03 112.173 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.9 mm -80.73 123.86 37.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.513 . . . . 1.4 109.64 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 16.6 t -103.74 122.61 56.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 110.247 -0.279 . . . . 1.11 110.247 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.788 ' HA ' ' O ' ' A' ' 50' ' ' THR . 86.6 m -109.67 106.17 15.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.374 -0.376 . . . . 1.05 110.154 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -93.99 117.53 30.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.313 -0.403 . . . . 1.39 110.496 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -110.48 130.65 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.891 -0.595 . . . . 1.03 112.213 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.4 t -115.55 133.41 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.995 -0.548 . . . . 1.56 110.263 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.531 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 33.2 tp60 -83.08 111.9 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 2.06 110.635 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -130.72 73.9 1.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.462 -0.57 . . . . 2.31 109.462 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.75 -99.42 0.6 Allowed Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 111.026 -0.83 . . . . 0.42 111.026 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.04 6.81 10.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.308 -0.627 . . . . 0.51 109.308 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 37.2 t70 -100.1 108.35 20.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.846 -1.07 . . . . 1.36 109.513 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -103.09 128.49 49.97 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.19 -0.459 . . . . 1.66 109.898 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.3 p -89.4 121.29 31.5 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.179 -0.464 . . . . 1.34 111.058 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -104.24 99.92 9.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.064 -0.717 . . . . 0.48 109.064 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.788 ' O ' ' HA ' ' A' ' 38' ' ' THR . 6.0 m -104.29 121.04 42.51 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.13 -0.486 . . . . 1.1 110.697 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -109.08 117.26 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.623 -0.51 . . . . 1.62 109.623 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -102.73 133.16 48.23 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.069 0.462 . . . . 0.46 110.115 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -112.3 120.32 41.78 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.436 -0.802 . . . . 2.11 110.017 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.01 114.29 2.24 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.609 2.206 . . . . 0.51 112.598 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.08 24.66 74.6 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.52 113.094 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.66 -165.62 11.44 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.351 -0.928 . . . . 0.41 113.066 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.81 145.79 42.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.966 0.412 . . . . 3.97 111.333 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 t -101.43 161.7 13.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.844 -0.616 . . . . 1.07 110.43 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.27 131.1 21.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.31 -0.626 . . . . 1.11 109.31 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.7 m -137.05 119.14 15.43 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.022 -0.424 . . . . 1.04 110.91 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -131.53 116.72 17.81 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.012 0.435 . . . . 2.22 110.389 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.3 m -97.16 147.57 23.95 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.936 -0.764 . . . . 1.32 108.936 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.441 ' CE1' HG23 ' A' ' 90' ' ' ILE . 40.8 p90 -145.11 141.78 29.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.077 0.465 . . . . 1.55 111.679 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.475 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 50.5 m -106.16 124.81 50.16 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.732 -0.84 . . . . 1.03 108.732 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.05 124.17 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.575 -0.284 . . . . 1.05 111.186 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t0 78.01 22.45 0.82 Allowed 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.249 0.968 . . . . 1.1 110.259 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 34.8 tptt -137.9 144.9 41.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.405 -0.816 . . . . 2.09 110.354 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -71.55 130.28 40.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.457 -0.571 . . . . 2.55 109.457 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -120.55 148.56 43.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.034 0.445 . . . . 1.04 111.826 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.34 119.89 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.679 -1.23 . . . . 1.95 107.679 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.535 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 19.8 mtt -124.16 162.45 23.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.61 0.719 . . . . 1.01 112.874 -177.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 27.3 tt0 -151.84 144.63 24.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.648 -1.16 . . . . 1.47 108.775 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.0 p -100.98 176.01 5.41 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.846 0.355 . . . . 1.03 110.34 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 39.0 mtt -77.62 -17.52 57.7 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.292 -0.413 . . . . 1.64 110.494 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.21 -6.29 88.12 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.928 -0.654 . . . . 0.48 112.15 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.79 48.85 2.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.849 -0.691 . . . . 0.48 113.11 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.607 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.8 mtp85 -113.44 122.95 48.87 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.737 -0.273 . . . . 1.1 110.618 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -100.93 122.34 43.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.989 -0.745 . . . . 2.27 108.989 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 48.3 p90 -162.3 175.82 11.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.2 0.524 . . . . 2.02 111.89 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.23 152.09 51.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.626 -0.715 . . . . 3.12 109.638 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -156.69 161.86 39.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.235 -0.439 . . . . 1.05 110.535 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.09 133.11 47.45 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.619 -0.512 . . . . 1.01 109.619 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.27 133.44 65.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.368 -0.378 . . . . 1.11 110.247 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -127.15 176.76 7.13 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.393 -0.595 . . . . 1.79 109.393 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.421 ' HE2' HG12 ' A' ' 90' ' ' ILE . 2.1 mtt -125.57 132.8 52.48 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.984 -0.376 . . . . 1.02 109.984 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.402 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 4.8 pt-20 -121.11 84.84 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 2.67 111.324 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.45 41.97 28.74 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.406 -0.902 . . . . 0.6 112.758 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.87 8.23 82.83 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.42 112.878 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 85' ' ' MET . 24.2 mtpt -113.26 129.77 56.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.42 -0.585 . . . . 2.39 109.42 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.441 HG23 ' CE1' ' A' ' 63' ' ' PHE . 1.5 mt -84.74 114.2 24.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 110.112 -0.329 . . . . 1.03 110.112 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 p -116.81 131.49 69.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.353 0.597 . . . . 1.08 111.556 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -112.8 139.59 48.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.62 -0.718 . . . . 1.03 109.687 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -100.61 124.11 45.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.964 0.411 . . . . 1.19 111.368 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.453 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 76.6 m-85 -142.33 154.59 64.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.7 -0.682 . . . . 2.2 110.361 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -67.54 114.92 3.46 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.057 1.838 . . . . 0.42 111.668 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 114' ' ' SER . 13.1 t-20 58.9 25.26 13.46 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.436 0.636 . . . . 1.9 110.589 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.572 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.6 t80 -146.03 122.57 11.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.361 -0.836 . . . . 2.24 109.555 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.473 ' O ' ' HA ' ' A' ' 112' ' ' SER . 19.5 t60 -125.67 114.78 19.13 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.834 -0.432 . . . . 1.37 109.834 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.451 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 8.3 t60 -112.97 124.89 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.165 0.291 . . . . 0.92 110.792 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.7 p -131.41 129.11 40.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 1.03 110.445 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.21 134.14 55.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.365 -0.379 . . . . 1.09 110.247 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -152.27 171.46 17.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.349 . . . . 1.38 110.733 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.9 mm -111.44 118.99 58.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.108 -0.496 . . . . 1.13 111.168 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -113.38 91.72 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.14 -0.482 . . . . 1.86 111.075 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.55 43.8 84.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.96 113.449 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.18 13.29 79.34 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.526 -0.845 . . . . 0.62 112.976 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -126.33 142.35 51.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.874 0.368 . . . . 1.8 110.318 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.525 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.8 tm? -92.53 123.47 35.86 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.593 -0.731 . . . . 1.49 109.34 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -124.8 118.5 53.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 121.368 0.604 . . . . 1.1 110.528 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -101.49 126.05 48.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.68 -0.691 . . . . 1.69 109.444 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 3.8 mp -108.86 122.74 63.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 109.458 -0.571 . . . . 1.14 109.458 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.3 m -122.95 108.94 13.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.052 -0.522 . . . . 0.6 110.61 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.572 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -94.92 131.74 40.5 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.596 -0.52 . . . . 1.03 109.596 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 5.7 t -151.8 119.34 6.05 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 120.966 0.413 . . . . 1.92 110.288 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.4 m 59.14 24.18 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.408 -0.814 . . . . 1.17 111.966 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 107.43 -28.79 11.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.52 113.391 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.539 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 67.8 t -80.31 129.83 36.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 117.173 0.486 . . . . 1.24 111.942 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.58 106.93 20.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.583 -0.735 . . . . 1.61 110.121 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -93.81 128.55 40.12 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.967 -0.56 . . . . 2.13 110.281 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -122.41 144.67 48.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.353 -0.385 . . . . 1.77 110.332 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.62 116.34 9.23 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.879 -0.6 . . . . 3.06 109.729 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.1 m -96.51 125.96 41.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.808 -0.633 . . . . 1.13 110.207 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.6 m -124.66 132.9 53.38 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.18 -0.464 . . . . 0.67 109.981 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 15.6 pttm -80.22 154.17 28.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.375 -0.375 . . . . 2.01 110.819 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.54 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -97.73 118.58 34.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.139 0.495 . . . . 2.1 109.921 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -134.33 168.52 23.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 108.607 -0.886 . . . . 1.13 108.607 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.422 -0.799 . . . . 1.27 110.249 178.318 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.368 0.127 . . . . 2.16 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.97 140.07 57.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.079 0.466 . . . . 1.02 112.075 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.85 166.63 11.9 Favored Glycine 0 N--CA 1.439 -1.162 0 C-N-CA 120.772 -0.728 . . . . 0.24 111.834 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -95.48 142.75 27.46 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.79 -0.819 . . . . 2.15 108.79 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.467 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 95.0 m-85 -124.75 144.08 50.44 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 121.115 -0.234 . . . . 2.2 110.864 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -118.44 156.68 28.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.059 -0.518 . . . . 1.41 110.198 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -63.5 108.99 1.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.94 -0.573 . . . . 2.7 110.649 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -102.14 -49.06 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 1.46 109.68 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -157.58 158.0 34.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.482 -0.326 . . . . 1.28 110.404 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -140.43 152.09 45.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.9 -0.778 . . . . 1.72 108.9 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -139.93 139.16 36.09 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.12 0.486 . . . . 1.44 110.876 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t30 58.72 49.6 9.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.602 -1.181 . . . . 1.16 111.559 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -75.39 -57.99 3.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.128 -0.487 . . . . 2.27 112.184 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.406 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 8.4 m-20 -56.84 -41.89 78.68 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.216 0.45 . . . . 1.3 112.216 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -38.91 88.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.403 0.62 . . . . 1.46 110.73 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -67.56 -52.78 34.66 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.336 -0.847 . . . . 2.15 110.839 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 15' ' ' ASP . 27.4 m -64.34 -38.02 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.807 -0.633 . . . . 1.08 111.804 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -69.95 -28.91 65.96 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.043 -0.263 . . . . 1.67 111.049 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -75.53 -46.13 33.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.42 -0.354 . . . . 1.53 111.343 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 pt -73.02 -14.24 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.741 0.305 . . . . 1.06 111.715 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.49 33.93 26.88 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.091 -0.576 . . . . 0.42 112.308 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' O ' HD12 ' A' ' 28' ' ' ILE . 21.0 tp -69.67 135.8 88.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.659 -0.497 . . . . 1.11 109.659 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.483 ' O ' HG13 ' A' ' 28' ' ' ILE . 26.5 Cg_endo -64.62 139.11 62.21 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.125 1.883 . . . . 0.4 111.386 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.72 -37.76 59.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.076 0.465 . . . . 1.12 111.165 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.74 -38.52 69.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.25 -0.886 . . . . 2.03 111.728 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -90.17 -31.35 17.09 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 121.139 -0.224 . . . . 1.47 110.72 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 24' ' ' PRO . 62.4 mt -57.68 -61.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.086 -0.506 . . . . 1.13 110.657 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -67.14 -24.44 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.518 -0.765 . . . . 1.73 111.339 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 tpt -74.94 -34.8 62.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.169 -0.468 . . . . 1.63 110.409 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.61 23.69 25.7 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.5 -0.857 . . . . 0.51 113.943 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -109.26 138.51 45.52 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 117.381 0.59 . . . . 2.94 110.833 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.22 25.09 10.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.676 -0.693 . . . . 2.14 111.033 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.2 m -98.49 154.52 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.927 -0.578 . . . . 1.22 110.224 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.06 88.51 7.72 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.497 0.554 . . . . 3.03 112.497 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 mp -94.46 123.49 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.245 -0.65 . . . . 1.4 109.245 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 t -92.65 140.94 15.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.622 -0.263 . . . . 1.11 110.361 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.3 m -116.9 106.79 13.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.121 -0.491 . . . . 1.05 110.023 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 9.6 mt-10 -95.54 110.58 22.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.87 0.367 . . . . 1.39 110.555 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 48' ' ' THR . 46.5 t -110.93 124.27 67.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 1.03 111.995 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.467 HG11 ' OG1' ' A' ' 48' ' ' THR . 6.8 p -117.27 136.19 55.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.199 -1.037 . . . . 1.56 108.199 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -103.28 121.17 42.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.268 0.556 . . . . 2.06 112.408 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -126.83 79.44 1.87 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.386 -0.968 . . . . 2.31 108.386 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.86 -94.52 0.98 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.84 -0.904 . . . . 0.42 110.84 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.2 6.6 9.13 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.646 -0.501 . . . . 0.51 109.646 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 34.2 t70 -96.92 109.69 22.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.401 -0.818 . . . . 1.36 109.741 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -108.23 142.38 38.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.126 -0.694 . . . . 1.66 109.126 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.467 ' OG1' HG11 ' A' ' 41' ' ' VAL . 82.4 p -112.32 136.0 52.3 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.395 -0.522 . . . . 1.34 111.915 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -110.77 99.6 8.5 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.634 -0.876 . . . . 0.48 108.634 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.644 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.8 m -105.75 118.17 35.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.053 -0.522 . . . . 1.1 110.202 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.452 ' NE2' HG23 ' A' ' 38' ' ' THR . 5.4 mp0 -105.1 117.78 34.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.996 -0.372 . . . . 1.62 109.996 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -105.95 119.63 39.69 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.963 -0.562 . . . . 0.46 110.038 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -97.01 137.41 21.28 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.454 -0.794 . . . . 2.11 110.947 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.61 113.85 2.67 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.448 2.099 . . . . 0.51 111.799 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.18 35.6 65.48 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.072 -0.585 . . . . 0.52 113.648 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.73 -164.38 11.0 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.395 -0.907 . . . . 0.41 112.841 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.52 145.96 48.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.648 0.261 . . . . 3.97 110.565 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -107.85 161.52 14.84 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.322 -0.399 . . . . 1.07 110.345 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.25 141.36 33.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.535 -0.302 . . . . 1.11 110.425 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.5 m -142.48 119.62 11.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.639 0.257 . . . . 1.04 110.97 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -126.26 122.01 34.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.347 0.594 . . . . 2.22 111.232 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.5 p -103.14 131.94 49.78 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.579 -0.737 . . . . 1.32 109.302 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -140.48 141.57 35.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.491 0.662 . . . . 1.55 111.969 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.458 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 55.3 m -107.11 126.62 52.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.628 -0.714 . . . . 1.03 109.279 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.414 HD11 HG23 ' A' ' 65' ' ' ILE . 44.1 mm -55.15 126.8 13.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 120.674 0.273 . . . . 1.05 110.977 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.9 t70 75.83 22.06 1.54 Allowed 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.144 0.978 . . . . 1.1 110.395 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.458 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 31.0 tptt -137.12 147.28 45.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.422 -0.808 . . . . 2.09 110.259 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.5 mp0 -74.41 135.74 42.39 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.311 -0.625 . . . . 2.55 109.311 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -127.09 159.88 32.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.784 0.326 . . . . 1.04 111.508 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -101.08 121.66 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.433 -0.951 . . . . 1.95 108.433 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.457 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 2.7 mtt -126.3 161.49 27.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.708 0.766 . . . . 1.01 112.387 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.675 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 7.6 tt0 -142.07 141.96 32.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.277 -1.329 . . . . 1.47 107.73 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.8 p -86.73 -172.71 4.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.977 0.418 . . . . 1.03 110.814 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.8 mtp -89.06 -6.7 56.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.99 -0.55 . . . . 1.64 109.684 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.34 -32.48 7.75 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.308 -0.717 . . . . 0.48 111.308 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.73 31.64 0.75 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.48 113.629 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.675 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 6.3 mtp180 -97.29 122.86 40.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.732 0.266 . . . . 1.1 110.61 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -100.43 122.2 42.79 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.262 -1.014 . . . . 2.27 108.262 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 43.3 p90 -156.71 176.87 12.16 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.758 -0.377 . . . . 2.02 111.659 -177.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.13 146.16 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.625 -0.509 . . . . 3.12 109.625 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.43 161.43 40.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.688 -0.233 . . . . 1.05 111.04 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -103.58 131.91 50.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.968 -0.382 . . . . 1.01 109.968 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.7 t -114.68 144.35 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.416 -0.357 . . . . 1.11 110.306 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -134.52 -179.49 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.625 -0.509 . . . . 1.79 109.625 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.8 mtt -131.27 134.15 46.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.486 0.184 . . . . 1.02 110.836 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -128.4 110.36 12.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 2.67 110.512 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.6 31.87 79.36 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 116.031 -0.531 . . . . 0.6 113.108 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.76 20.77 59.11 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 120.329 -0.939 . . . . 0.42 112.401 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -122.34 128.81 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.359 -0.608 . . . . 2.39 109.359 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' A' ' 100' ' ' THR . 1.7 mt -80.94 118.24 28.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.869 -0.332 . . . . 1.03 110.696 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.5 p -123.26 130.77 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.568 . . . . 1.08 110.859 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -111.22 140.34 45.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.821 -0.627 . . . . 1.03 110.831 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -90.5 121.63 32.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.001 0.429 . . . . 1.19 111.68 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.481 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 71.0 m-85 -145.4 152.45 49.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.625 -0.716 . . . . 2.2 110.615 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.23 114.26 3.94 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.432 2.088 . . . . 0.42 111.275 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.658 ' O ' ' HA ' ' A' ' 114' ' ' SER . 2.5 m-20 64.13 19.06 11.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.921 -0.581 . . . . 1.9 111.128 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.669 ' HA ' ' O ' ' A' ' 113' ' ' THR . 5.5 t80 -139.52 123.36 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.225 -0.657 . . . . 2.24 109.225 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -121.13 103.34 8.93 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.403 -0.817 . . . . 1.37 108.969 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -100.98 122.86 44.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.255 -0.43 . . . . 0.92 110.997 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.546 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 40.5 p -137.58 148.42 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 1.03 110.981 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -136.69 136.27 38.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.313 -0.403 . . . . 1.09 110.098 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -149.73 172.37 15.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 1.38 111.004 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 mm -113.49 124.17 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.496 -0.775 . . . . 1.13 110.39 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.9 t -95.28 -120.06 0.1 Allowed 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.803 -0.814 . . . . 1.86 108.803 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -80.2 61.84 4.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.469 -0.872 . . . . 0.96 111.003 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 21.59 77.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.03 -0.605 . . . . 0.62 111.806 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -130.91 146.61 52.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.032 0.444 . . . . 1.8 111.025 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.453 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.4 tm? -89.16 120.57 30.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.373 -0.831 . . . . 1.49 109.571 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 p -118.61 113.36 41.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 108.649 -0.871 . . . . 1.1 108.649 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.627 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 24.8 tt0 -96.57 137.22 35.98 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.006 -0.997 . . . . 1.69 110.304 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.89 125.03 69.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.951 -0.568 . . . . 1.14 110.77 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.1 m -124.48 114.3 19.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.847 -0.615 . . . . 0.6 109.91 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.669 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -103.01 133.38 48.24 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.291 -0.413 . . . . 1.03 110.335 179.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.658 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 0.2 OUTLIER -141.78 111.92 6.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.105 0.479 . . . . 1.92 110.463 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m 56.68 30.65 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.066 -0.97 . . . . 1.17 111.397 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.32 -35.34 5.11 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.506 -0.854 . . . . 0.52 113.159 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.91 126.04 29.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 117.1 0.45 . . . . 1.24 110.973 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.403 HG22 HG21 ' A' ' 113' ' ' THR . 21.8 t -103.32 117.17 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.982 -0.554 . . . . 1.61 111.142 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -104.4 125.25 50.44 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.127 -0.694 . . . . 2.13 109.127 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -123.78 147.29 47.67 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.078 0.466 . . . . 1.77 110.77 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.627 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -145.19 130.79 18.88 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.812 -0.631 . . . . 3.06 110.959 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.2 m -99.66 126.95 45.76 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.999 -0.546 . . . . 1.13 109.576 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 1.5 m -124.76 126.52 45.78 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.708 -0.397 . . . . 0.67 110.779 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 7.9 pttt -73.94 157.39 36.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.917 -0.583 . . . . 2.01 109.495 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -100.84 126.51 47.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.12 0.486 . . . . 2.1 111.032 -178.677 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -141.7 167.95 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.841 -0.618 . . . . 1.13 109.406 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.342 -0.837 . . . . 1.27 110.199 178.488 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--O 1.228 -0.059 0 N-CA-C 111.984 0.364 . . . . 2.16 111.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.536 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.4 m -55.2 142.8 29.85 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.283 0.563 . . . . 1.02 112.305 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.98 174.91 15.07 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.493 -0.86 . . . . 0.24 111.996 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -99.13 143.3 29.56 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.918 -0.771 . . . . 2.15 108.918 178.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.631 ' CE2' ' HB2' ' A' ' 108' ' ' LEU . 63.1 m-85 -125.75 142.64 51.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.635 -0.257 . . . . 2.2 110.586 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -119.51 141.83 48.85 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.45 -0.204 . . . . 1.41 110.45 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -48.97 118.02 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.941 0.775 . . . . 2.7 111.431 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -110.44 -50.34 2.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.054 -0.521 . . . . 1.46 111.1 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.9 m -151.03 167.77 26.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.319 . . . . 1.28 111.506 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -151.96 159.02 43.89 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.811 -0.631 . . . . 1.72 109.779 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -144.43 138.49 27.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.908 -0.587 . . . . 1.44 110.295 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 60.17 34.77 21.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.936 -1.029 . . . . 1.16 112.266 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.11 -61.5 2.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.44 . . . . 2.27 111.08 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.99 -42.29 79.98 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.078 -0.51 . . . . 1.3 111.742 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -47.73 83.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.098 0.475 . . . . 1.46 110.645 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.449 ' CG ' ' HB2' ' A' ' 119' ' ' TYR . 64.4 t80 -62.65 -53.23 57.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.564 -0.744 . . . . 2.15 111.43 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.2 m -59.78 -39.6 80.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 1.08 111.637 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -72.55 -24.31 61.11 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.832 0.349 . . . . 1.67 110.898 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -81.7 -45.75 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.445 . . . . 1.53 111.602 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.61 -17.56 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 111.782 0.29 . . . . 1.06 111.782 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.92 28.49 11.97 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.183 -1.008 . . . . 0.42 112.971 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 tp -69.83 132.46 88.79 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.694 -0.484 . . . . 1.11 109.694 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.445 ' O ' HG13 ' A' ' 28' ' ' ILE . 30.6 Cg_endo -66.76 140.26 55.31 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.108 1.872 . . . . 0.4 111.767 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.1 -32.99 56.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.234 -0.439 . . . . 1.12 111.647 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -41.32 85.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.639 -0.709 . . . . 2.03 110.481 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -88.72 -31.22 18.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.671 -0.695 . . . . 1.47 110.892 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 24' ' ' PRO . 57.3 mt -56.81 -56.65 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 1.13 111.218 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 4.1 mm-40 -71.15 -20.3 62.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.948 -0.569 . . . . 1.73 110.979 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.453 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 8.8 tpt -77.49 -37.43 51.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.712 -0.676 . . . . 1.63 110.632 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.42 27.87 17.41 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.837 -0.697 . . . . 0.51 113.884 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HD2' ' HA ' ' A' ' 29' ' ' GLU . 11.3 ptm180 -111.98 136.91 50.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.462 0.631 . . . . 2.94 110.507 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.25 21.19 10.61 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.674 -0.694 . . . . 2.14 110.738 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.5 m -92.04 137.15 32.6 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.798 -0.637 . . . . 1.22 110.358 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 81.26 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.651 . . . . 3.03 111.937 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.7 mm -77.53 128.06 38.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.924 -0.58 . . . . 1.4 110.031 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.44 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 5.2 t -101.82 120.72 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.018 -0.364 . . . . 1.11 110.018 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.674 ' HA ' ' O ' ' A' ' 50' ' ' THR . 25.9 m -103.37 105.42 15.68 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.055 -0.521 . . . . 1.05 110.076 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -97.98 117.79 33.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.822 0.344 . . . . 1.39 110.644 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.61 124.16 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.472 -0.786 . . . . 1.03 112.023 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -110.72 121.27 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 1.56 109.279 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.536 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 0.2 OUTLIER -84.01 119.09 24.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.948 0.404 . . . . 2.06 111.334 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -139.71 76.43 1.56 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.976 -0.557 . . . . 2.31 109.885 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.59 -95.5 0.79 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.759 -0.655 . . . . 0.42 111.776 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.71 2.42 8.2 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.071 0.462 . . . . 0.51 110.131 178.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 27.0 t70 -99.66 110.04 22.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 1.36 109.745 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.04 130.95 55.49 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.509 -0.552 . . . . 1.66 109.509 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.95 122.36 37.52 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 116.051 -0.522 . . . . 1.34 111.276 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -101.71 100.87 11.29 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.751 -0.833 . . . . 0.48 108.751 178.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.674 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.9 m -101.29 127.1 48.05 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.85 -0.614 . . . . 1.1 110.405 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -114.31 116.24 28.65 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.594 -0.521 . . . . 1.62 109.594 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.44 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 84.3 m-70 -103.1 121.63 43.02 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.058 -0.519 . . . . 0.46 110.904 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 6.1 t80 -99.04 126.09 39.46 Favored Pre-proline 0 N--CA 1.441 -0.918 0 CA-C-N 115.499 -0.773 . . . . 2.11 109.298 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.94 112.23 1.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.092 1.861 . . . . 0.51 112.132 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.41 29.98 76.52 Favored Glycine 0 CA--C 1.522 0.473 0 CA-C-N 116.137 -0.483 . . . . 0.52 113.044 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.45 -166.02 12.24 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.013 -1.089 . . . . 0.41 113.701 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.87 147.66 51.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 3.97 111.312 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -105.78 156.86 17.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.178 -0.465 . . . . 1.07 110.342 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.66 113.65 11.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.485 -0.561 . . . . 1.11 109.485 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -125.4 115.85 20.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.944 0.402 . . . . 1.04 111.688 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -121.2 135.8 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.342 0.591 . . . . 2.22 110.019 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.6 p -111.67 128.02 55.94 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.298 -0.865 . . . . 1.32 109.252 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -136.67 139.55 42.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.199 0.523 . . . . 1.55 112.253 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 46' ' ' ASP . 18.4 m -107.05 131.75 53.74 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.911 -0.774 . . . . 1.03 108.911 178.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.7 mm -53.86 128.8 14.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 120.879 0.371 . . . . 1.05 111.313 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 70.21 27.62 4.12 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.361 -0.836 . . . . 1.1 109.943 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 64' ' ' THR . 11.8 tppt? -136.92 147.99 46.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.465 -0.789 . . . . 2.09 110.743 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -75.06 124.99 27.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.556 -0.905 . . . . 2.55 108.556 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -117.51 150.77 38.39 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.7 0.629 . . . . 1.04 112.7 -178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.439 ' CG ' ' HZ1' ' A' ' 80' ' ' LYS . 9.6 t0 -83.45 121.2 26.87 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 107.695 -1.224 . . . . 1.95 107.695 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.584 ' SD ' ' HB1' ' A' ' 81' ' ' ALA . 41.7 mtt -125.55 164.41 20.58 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.934 0.716 . . . . 1.01 112.934 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.606 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 12.0 tt0 -159.93 138.86 10.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.701 -1.136 . . . . 1.47 109.038 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 77' ' ' ARG . 29.8 p -87.45 173.39 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.937 0.398 . . . . 1.03 110.104 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.2 ttm -78.76 -7.87 58.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.522 -0.548 . . . . 1.64 109.522 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.09 -19.09 54.45 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.722 -0.672 . . . . 0.48 111.691 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.29 22.46 6.15 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.914 -0.66 . . . . 0.48 113.366 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.606 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.1 mtp85 -94.08 120.77 34.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.517 0.658 . . . . 1.1 110.413 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.78 129.91 45.94 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.119 -0.697 . . . . 2.27 109.119 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.417 ' O ' ' HD3' ' A' ' 80' ' ' LYS . 36.9 p90 -160.64 176.53 11.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.798 0.332 . . . . 2.02 110.456 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HZ1' ' CG ' ' A' ' 70' ' ' ASP . 7.6 mmtt -131.67 141.33 49.56 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.744 -0.835 . . . . 3.12 108.744 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.584 ' HB1' ' SD ' ' A' ' 71' ' ' MET . . . -151.06 162.45 40.84 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.552 0.215 . . . . 1.05 110.686 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 138.06 39.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.281 -0.418 . . . . 1.01 110.423 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 t -117.39 145.5 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.302 -0.408 . . . . 1.11 110.222 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.494 ' CG ' HG11 ' A' ' 91' ' ' VAL . 5.1 pttt -135.04 179.43 6.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.992 -0.373 . . . . 1.79 109.992 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 ttt -137.5 117.11 12.98 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.096 -0.242 . . . . 1.02 110.871 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -121.69 112.61 18.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.801 -0.181 . . . . 2.67 110.864 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.43 90.22 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 121.096 -0.574 . . . . 0.6 112.85 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.97 26.79 65.87 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.714 -0.755 . . . . 0.42 112.37 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -127.78 127.93 44.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.802 -0.444 . . . . 2.39 109.802 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mt -82.28 109.31 16.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.959 -0.385 . . . . 1.03 109.959 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.494 HG11 ' CG ' ' A' ' 84' ' ' LYS . 2.7 p -114.0 129.73 69.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.247 0.546 . . . . 1.08 110.791 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.76 142.53 36.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.827 -0.624 . . . . 1.03 110.11 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -96.66 121.49 38.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.132 0.492 . . . . 1.19 111.6 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.423 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 67.2 m-85 -144.16 157.52 56.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.348 -0.842 . . . . 2.2 111.356 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.86 120.44 3.83 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.66 2.24 . . . . 0.42 110.97 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.0 t30 62.94 21.26 12.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.56 0.695 . . . . 1.9 110.427 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.517 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.4 t80 -146.08 128.81 16.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.765 -0.652 . . . . 2.24 110.401 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 112' ' ' SER . 27.3 t60 -126.57 104.07 7.92 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.824 -0.625 . . . . 1.37 109.326 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -109.45 118.08 35.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.682 0.277 . . . . 0.92 111.146 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 p -128.17 133.18 48.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 1.03 110.514 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.79 133.78 55.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 1.09 110.347 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -155.64 171.22 20.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.868 0.366 . . . . 1.38 110.892 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 15.1 mm -102.89 118.89 50.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.804 -0.634 . . . . 1.13 110.41 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.8 t -123.83 110.17 14.54 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.979 -0.378 . . . . 1.86 109.979 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.26 30.77 73.74 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.04 -0.6 . . . . 0.96 112.201 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.48 13.27 82.82 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.02 -0.609 . . . . 0.62 112.295 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -123.94 153.58 40.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 1.8 110.634 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.631 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 2.1 tm? -93.68 119.49 32.75 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.164 -0.68 . . . . 1.49 109.164 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.9 p -124.36 116.44 47.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.138 0.494 . . . . 1.1 109.747 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' HG3' ' CD1' ' A' ' 108' ' ' LEU . 28.7 mt-10 -102.39 134.47 45.65 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.946 -0.57 . . . . 1.69 110.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.95 121.71 67.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.732 -0.667 . . . . 1.14 109.276 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.5 m -122.16 104.66 9.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.058 -0.519 . . . . 0.6 110.3 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.517 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -92.22 137.59 32.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.03 -0.532 . . . . 1.03 110.959 179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 t -154.65 117.59 4.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.651 0.262 . . . . 1.92 110.377 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 m 57.85 32.24 21.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.72 -0.673 . . . . 1.17 111.997 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.67 -22.3 39.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.424 -0.893 . . . . 0.52 113.542 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.4 t -84.25 121.89 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 117.24 0.52 . . . . 1.24 110.412 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 48.8 t -97.81 110.66 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.896 -0.593 . . . . 1.61 111.55 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.449 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 60.9 t80 -97.01 133.25 41.92 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.287 -0.635 . . . . 2.13 109.287 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -131.59 138.91 49.03 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.809 0.337 . . . . 1.77 111.031 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 128.97 31.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 3.06 110.132 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 16.4 m -109.52 132.6 53.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.082 -0.508 . . . . 1.13 110.35 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -129.08 140.64 51.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.083 -0.508 . . . . 0.67 109.953 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 23.8 pttt -90.3 156.43 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.001 -0.37 . . . . 2.01 110.001 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.13 134.15 36.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.423 0.63 . . . . 2.1 111.449 -177.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -142.22 166.01 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 114.855 -1.066 . . . . 1.13 109.082 178.533 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.353 -0.832 . . . . 1.27 109.443 178.908 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.412 0.149 . . . . 2.16 111.346 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.477 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.4 m -64.36 138.06 58.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.956 0.408 . . . . 1.02 110.556 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.489 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 137.55 168.11 11.25 Favored Glycine 0 N--CA 1.435 -1.4 0 C-N-CA 120.201 -1.0 . . . . 0.24 112.34 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 145.03 27.03 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.06 -1.089 . . . . 2.15 108.06 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 91.7 m-85 -126.39 141.78 51.77 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.586 0.232 . . . . 2.2 110.984 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -121.77 150.53 41.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.879 -0.6 . . . . 1.41 109.465 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -54.85 131.68 44.72 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.53 0.519 . . . . 2.7 111.26 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 122' ' ' THR . 0.7 OUTLIER -126.72 -57.39 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.548 -0.751 . . . . 1.46 110.557 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -153.7 163.83 39.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.172 -0.467 . . . . 1.28 110.963 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 1.2 p30 -152.45 155.03 36.71 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.451 -0.574 . . . . 1.72 109.451 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -140.55 138.53 34.58 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.218 -0.446 . . . . 1.44 110.051 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 t30 61.75 49.28 4.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.942 -1.026 . . . . 1.16 111.431 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.407 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 7.3 t80 -77.18 -56.03 4.92 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.33 -0.395 . . . . 2.27 111.709 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.441 ' CG ' HH22 ' A' ' 32' ' ' ARG . 3.4 m-20 -58.34 -42.94 87.97 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.147 0.425 . . . . 1.3 112.147 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -39.41 94.13 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.996 0.427 . . . . 1.46 110.933 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HB2' ' HB2' ' A' ' 119' ' ' TYR . 89.3 t80 -64.97 -53.99 37.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.511 -0.768 . . . . 2.15 111.278 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.7 m -62.69 -35.63 71.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 1.08 111.919 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.84 -24.76 63.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.379 . . . . 1.67 110.327 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HG3' ' CG2' ' A' ' 117' ' ' VAL . 0.9 OUTLIER -78.8 -54.3 6.22 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.735 -0.666 . . . . 1.53 111.609 -179.35 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 pt -69.32 -6.38 6.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.39 -0.823 . . . . 1.06 111.178 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.1 39.82 62.53 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.488 -0.863 . . . . 0.42 112.988 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' O ' HD11 ' A' ' 28' ' ' ILE . 17.9 tp -72.47 132.77 83.45 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 109.637 -0.505 . . . . 1.11 109.637 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -65.53 142.24 70.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.064 1.843 . . . . 0.4 111.71 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.28 -34.91 59.26 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.06 0.457 . . . . 1.12 111.292 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -39.96 80.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.283 -0.872 . . . . 2.03 110.821 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -88.85 -32.15 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 1.47 110.864 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.447 HD11 ' O ' ' A' ' 23' ' ' LEU . 55.8 mt -57.59 -58.94 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 1.13 111.166 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -66.38 -30.6 71.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.918 -0.583 . . . . 1.73 110.798 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 tpt -68.14 -40.67 82.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.296 -0.866 . . . . 1.63 111.133 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.78 27.94 18.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.02 -0.609 . . . . 0.51 113.911 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.441 HH22 ' CG ' ' A' ' 15' ' ' ASP . 9.6 ptm180 -125.35 144.33 50.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.441 -0.577 . . . . 2.94 109.441 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.95 14.02 9.02 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.624 0.578 . . . . 2.14 110.736 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -97.18 156.94 16.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.058 -0.519 . . . . 1.22 111.248 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -88.12 88.08 7.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.418 0.628 . . . . 3.03 111.006 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.8 mm -87.98 122.91 40.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.81 -0.632 . . . . 1.4 110.189 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.542 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 25.4 t -102.87 125.8 57.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.058 -0.519 . . . . 1.11 110.314 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.619 ' HA ' ' O ' ' A' ' 50' ' ' THR . 98.6 m -111.07 109.64 19.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.092 -0.504 . . . . 1.05 109.764 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -100.23 117.77 35.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.869 0.366 . . . . 1.39 110.248 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 48' ' ' THR . 67.7 t -112.35 134.64 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.713 -0.676 . . . . 1.03 111.3 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.5 t -119.68 134.16 64.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.939 -0.573 . . . . 1.56 110.316 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.477 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 6.0 tp-100 -81.82 130.22 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 2.06 110.105 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -151.64 74.91 1.14 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.82 -0.437 . . . . 2.31 109.82 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.12 -92.06 0.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.878 -0.677 . . . . 0.42 111.413 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.88 10.47 3.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.193 0.52 . . . . 0.51 109.936 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -107.25 108.4 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.355 -0.838 . . . . 1.36 109.299 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -100.02 134.62 42.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.997 0.427 . . . . 1.66 110.768 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.562 HG21 ' OG ' ' A' ' 62' ' ' SER . 32.7 p -94.86 123.9 38.6 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.844 -0.616 . . . . 1.34 110.332 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -108.41 102.15 11.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.359 -0.608 . . . . 0.48 109.359 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.619 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.4 m -105.3 118.82 37.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.369 -0.378 . . . . 1.1 111.285 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -105.7 119.17 38.46 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 110.078 -0.341 . . . . 1.62 110.078 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.47 129.55 49.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.085 0.469 . . . . 0.46 110.547 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.482 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.2 t80 -111.42 120.04 43.73 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.387 -0.824 . . . . 2.11 110.148 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 33.5 Cg_endo -63.8 113.94 2.37 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.455 2.104 . . . . 0.51 111.518 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.49 31.9 82.4 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.708 -0.678 . . . . 0.52 112.378 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.414 ' HA3' ' CD2' ' A' ' 53' ' ' PHE . . . -147.31 -164.68 11.32 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.367 -0.921 . . . . 0.41 113.026 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.8 145.92 34.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 3.97 111.404 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 t -103.68 160.29 14.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.033 0.444 . . . . 1.07 110.946 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.23 131.97 21.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.012 -0.54 . . . . 1.11 110.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -137.07 117.88 14.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.698 0.285 . . . . 1.04 110.617 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -129.19 126.56 39.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.084 0.469 . . . . 2.22 110.469 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.562 ' OG ' HG21 ' A' ' 48' ' ' THR . 48.7 m -110.21 132.96 53.71 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.087 -0.709 . . . . 1.32 109.087 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -133.11 145.41 50.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.095 0.474 . . . . 1.55 112.029 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 65.1 m -107.4 128.4 54.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.678 -0.692 . . . . 1.03 109.564 178.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.46 127.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 1.05 110.878 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.4 t70 74.85 21.75 2.02 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.197 0.999 . . . . 1.1 110.636 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.487 ' HE2' ' O ' ' A' ' 68' ' ' GLU . 17.0 tptm -136.81 140.9 42.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.787 -0.642 . . . . 2.09 110.175 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.487 ' O ' ' HE2' ' A' ' 67' ' ' LYS . 28.5 tt0 -75.99 122.69 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.533 -0.543 . . . . 2.55 109.533 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -111.88 158.79 19.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.27 -0.423 . . . . 1.04 111.208 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.24 119.17 31.09 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.12 -1.067 . . . . 1.95 108.12 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.613 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 7.4 mtt -122.26 162.88 20.62 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.638 0.732 . . . . 1.01 112.258 -178.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 17.9 tt0 -149.85 142.39 24.43 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.654 -1.157 . . . . 1.47 108.254 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.4 p -97.84 175.38 6.18 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.666 -0.494 . . . . 1.03 109.666 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.6 mtt -74.21 -12.52 60.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.41 -0.589 . . . . 1.64 109.41 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.25 -10.33 83.83 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 111.179 -0.769 . . . . 0.48 111.179 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.57 20.97 30.31 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.296 -0.478 . . . . 0.48 112.845 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.547 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 8.5 mtp180 -82.13 124.28 29.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.815 0.308 . . . . 1.1 111.059 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -98.81 122.2 41.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.281 -0.637 . . . . 2.27 109.281 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 48.0 p90 -160.74 175.0 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.468 0.544 . . . . 2.02 112.468 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.87 147.08 48.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.579 -0.737 . . . . 3.12 109.36 178.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.8 159.5 41.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.951 0.405 . . . . 1.05 111.736 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.93 124.06 43.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 1.01 109.78 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.3 t -110.01 138.15 39.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.628 -0.26 . . . . 1.11 110.493 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' CG ' HG12 ' A' ' 91' ' ' VAL . 16.0 pttt -127.74 -179.16 4.79 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.826 -0.435 . . . . 1.79 109.826 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.9 mtt -130.86 131.38 44.53 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 121.144 -0.222 . . . . 1.02 110.53 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.55 91.85 3.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.961 0.41 . . . . 2.67 111.199 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.67 53.29 44.77 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 115.978 -0.555 . . . . 0.6 113.408 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.68 18.47 79.69 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.837 -0.697 . . . . 0.42 113.169 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -127.08 116.09 20.16 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.117 -0.697 . . . . 2.39 109.117 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.6 mt -73.8 117.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 110.367 -0.234 . . . . 1.03 110.367 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.418 HG12 ' CG ' ' A' ' 84' ' ' LYS . 2.7 p -117.75 129.54 74.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.45 0.643 . . . . 1.08 111.346 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.0 137.53 51.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.659 -0.701 . . . . 1.03 109.822 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -103.7 123.56 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.026 0.441 . . . . 1.19 111.32 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.471 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 87.7 m-85 -137.47 156.53 74.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.604 -0.725 . . . . 2.2 110.084 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.01 113.21 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.169 1.913 . . . . 0.42 111.943 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 59.29 21.36 9.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.679 -0.691 . . . . 1.9 111.539 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.626 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.6 t80 -140.95 124.85 17.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.843 -0.617 . . . . 2.24 109.954 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.503 ' O ' ' HA ' ' A' ' 112' ' ' SER . 23.5 t60 -123.94 121.58 35.67 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.126 -0.488 . . . . 1.37 110.069 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.513 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 12.4 t60 -121.78 122.12 38.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.287 0.367 . . . . 0.92 111.035 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.9 p -128.85 132.0 47.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.162 -0.472 . . . . 1.03 110.453 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.84 137.56 51.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.226 -0.443 . . . . 1.09 110.367 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -157.35 175.82 13.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 1.38 111.104 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.8 mm -114.86 114.42 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.048 -0.524 . . . . 1.13 109.738 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.7 p -92.86 78.73 4.72 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.256 0.551 . . . . 1.86 110.434 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.5 -63.21 4.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.808 -0.71 . . . . 0.96 111.737 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -160.17 22.33 0.26 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.927 -0.654 . . . . 0.62 111.66 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -135.9 151.69 50.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.838 0.351 . . . . 1.8 110.558 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.0 tm? -91.64 122.34 34.12 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.105 -0.702 . . . . 1.49 109.105 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.6 p -127.48 121.22 56.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.333 0.587 . . . . 1.1 110.085 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -108.3 134.47 51.08 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.485 -0.779 . . . . 1.69 110.099 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 4.7 mp -113.52 126.28 70.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.827 -0.624 . . . . 1.14 109.678 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 2.0 m -126.8 108.37 10.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.126 -0.488 . . . . 0.6 110.446 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -93.94 133.71 37.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.915 -0.584 . . . . 1.03 110.022 179.191 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.8 p -131.21 96.71 4.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.985 0.422 . . . . 1.92 111.03 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.5 m 57.84 32.44 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.511 -0.768 . . . . 1.17 111.626 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.18 -44.07 1.47 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.662 -0.78 . . . . 0.52 113.585 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.448 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 70.4 t -69.17 124.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.028 0.442 . . . . 1.24 111.04 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 46.0 t -100.1 110.78 27.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.699 -0.682 . . . . 1.61 111.31 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 41.6 t80 -98.6 134.85 40.97 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.866 -0.79 . . . . 2.13 108.866 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -133.98 140.34 46.67 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 120.623 0.249 . . . . 1.77 110.93 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 15.4 ptt-85 -137.5 136.98 38.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.105 0.479 . . . . 3.06 110.126 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.483 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 90.5 m -113.13 125.82 54.78 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.585 -0.734 . . . . 1.13 109.957 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.5 m -124.89 141.32 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.147 -0.478 . . . . 0.67 110.573 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -81.46 155.29 25.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.977 -0.556 . . . . 2.01 110.359 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.57 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -101.08 124.84 47.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.299 0.571 . . . . 2.1 110.422 -179.696 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.519 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -141.25 168.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.069 -1.086 . . . . 1.13 108.069 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.516 -0.754 . . . . 1.27 110.286 178.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 120.61 0.243 . . . . 2.16 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.566 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -63.62 145.95 54.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.077 -0.511 . . . . 1.02 112.045 -179.37 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.55 170.81 12.99 Favored Glycine 0 N--CA 1.438 -1.176 0 C-N-CA 120.54 -0.838 . . . . 0.24 112.406 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 6.9 ptmt -99.97 143.23 30.42 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.331 -0.989 . . . . 2.15 108.331 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 84.9 m-85 -125.77 146.67 49.67 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.633 0.254 . . . . 2.2 110.696 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -126.02 154.55 42.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.248 -0.433 . . . . 1.41 110.54 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -56.19 116.71 3.19 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 123.806 0.691 . . . . 2.7 111.083 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.9 tp10 -114.16 -55.26 2.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.138 -0.483 . . . . 1.46 110.541 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 m -146.82 156.83 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.56 -0.291 . . . . 1.28 111.01 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -145.21 155.02 43.01 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.753 -0.462 . . . . 1.72 109.753 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -148.1 139.91 23.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.192 -0.458 . . . . 1.44 110.172 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 60.63 48.08 7.66 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.601 -0.727 . . . . 1.16 111.373 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -76.4 -56.17 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.715 0.293 . . . . 2.27 111.008 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.98 -46.12 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.966 -0.561 . . . . 1.3 111.22 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.16 -40.91 82.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.154 0.502 . . . . 1.46 110.557 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -65.05 -55.59 18.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.258 -0.883 . . . . 2.15 110.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 m -61.99 -34.91 65.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 1.08 111.85 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -72.89 -28.44 62.49 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.85 -0.34 . . . . 1.67 111.271 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -77.78 -39.36 44.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.581 -0.281 . . . . 1.53 111.184 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.0 pt -80.97 -6.48 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.489 -0.323 . . . . 1.06 111.748 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.3 37.8 58.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.667 -0.778 . . . . 0.42 113.155 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 25.2 tp -73.51 136.3 78.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.117 -0.327 . . . . 1.11 110.117 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 33.6 Cg_endo -66.93 141.23 57.73 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.57 2.18 . . . . 0.4 111.74 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.08 -35.56 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 1.12 111.353 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -41.32 71.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 2.03 111.562 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -88.92 -33.84 17.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.991 -0.549 . . . . 1.47 110.717 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.438 HG12 HD21 ' A' ' 23' ' ' LEU . 59.4 mt -56.89 -53.3 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.16 0.505 . . . . 1.13 110.841 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -73.85 -18.41 60.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.775 -0.648 . . . . 1.73 111.356 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.412 ' HE2' ' O ' ' A' ' 30' ' ' MET . 11.2 tpt -82.29 -31.91 29.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.155 -0.475 . . . . 1.63 110.522 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.57 29.8 8.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.834 -0.698 . . . . 0.51 114.165 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.4 HH21 ' CG2' ' A' ' 28' ' ' ILE . 6.4 ptp180 -112.65 136.87 51.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.991 0.895 . . . . 2.94 110.751 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 62.51 15.45 7.87 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.503 -0.771 . . . . 2.14 111.176 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -87.36 152.22 22.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.124 -0.489 . . . . 1.22 110.5 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 92.06 8.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.102 0.477 . . . . 3.03 111.39 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' HIS . 3.5 mp -91.23 117.11 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.131 -0.692 . . . . 1.4 109.131 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -86.53 136.38 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.314 -0.403 . . . . 1.11 110.377 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.713 ' HA ' ' O ' ' A' ' 50' ' ' THR . 97.9 m -118.62 106.25 12.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.649 -0.25 . . . . 1.05 110.835 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -95.15 119.77 34.23 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.95 -0.389 . . . . 1.39 109.95 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' THR . 57.5 t -114.46 129.66 70.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 123.507 0.505 . . . . 1.03 111.72 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.496 ' HB ' ' HG1' ' A' ' 48' ' ' THR . 47.9 t -114.4 128.54 71.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.627 -0.879 . . . . 1.56 108.627 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.566 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 9.3 tt0 -86.7 108.2 18.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.251 0.548 . . . . 2.06 111.072 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -120.81 73.55 1.02 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.501 -0.772 . . . . 2.31 109.328 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.18 -102.38 0.78 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 111.095 -0.802 . . . . 0.42 111.095 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.82 11.38 15.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.686 0.755 . . . . 0.51 109.237 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -109.12 111.06 22.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.64 -1.163 . . . . 1.36 109.368 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -108.23 129.13 55.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.239 0.542 . . . . 1.66 110.635 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.496 ' HG1' ' HB ' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -92.12 117.65 30.06 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.783 -0.644 . . . . 1.34 111.137 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -99.39 104.81 16.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.109 0.481 . . . . 0.48 109.748 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.713 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.6 m -106.88 119.23 38.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 1.1 110.789 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.448 ' HB3' ' HE3' ' A' ' 74' ' ' MET . 3.7 mp0 -109.73 118.48 36.65 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.24 0.338 . . . . 1.62 110.302 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 96.7 m-70 -107.2 132.16 53.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.022 0.439 . . . . 0.46 110.609 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 9.4 t80 -105.98 137.41 19.36 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.603 -0.726 . . . . 2.11 110.663 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.25 114.68 3.7 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.296 1.997 . . . . 0.51 111.84 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.42 30.57 76.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.974 -0.631 . . . . 0.52 112.707 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.38 -164.64 11.08 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.364 -0.922 . . . . 0.41 113.216 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.47 146.12 40.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.124 0.487 . . . . 3.97 111.699 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 t -100.74 159.43 15.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.127 -0.488 . . . . 1.07 110.406 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.55 136.7 39.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.823 -0.626 . . . . 1.11 109.494 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -147.17 117.99 7.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.92 0.39 . . . . 1.04 111.323 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.4 128.21 39.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.274 0.559 . . . . 2.22 110.624 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.406 ' HB3' HG22 ' A' ' 48' ' ' THR . 64.0 p -101.27 140.33 35.71 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.251 -0.886 . . . . 1.32 109.379 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -142.75 145.98 33.84 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.64 -0.424 . . . . 1.55 111.256 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 55.5 m -112.03 131.28 55.51 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.21 -0.663 . . . . 1.03 109.21 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.0 mm -55.26 128.5 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 120.744 0.307 . . . . 1.05 110.967 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 71.37 23.19 4.02 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.032 0.933 . . . . 1.1 110.317 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.463 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.8 tptt -136.87 144.39 43.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.418 -0.81 . . . . 2.09 110.059 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -78.17 139.45 38.97 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.547 -0.538 . . . . 2.55 109.547 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.53 150.03 51.92 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.537 0.569 . . . . 1.04 112.537 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.2 114.65 20.86 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.345 -0.843 . . . . 1.95 108.796 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.528 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.2 mtt -117.08 168.78 9.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.525 0.679 . . . . 1.01 112.38 -177.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 8.4 tt0 -156.57 141.92 17.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.839 -1.073 . . . . 1.47 108.592 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.8 p -100.87 174.21 6.14 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.802 -0.359 . . . . 1.03 110.204 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.448 ' HE3' ' HB3' ' A' ' 51' ' ' GLN . 44.8 mtt -72.81 -14.44 61.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.987 0.422 . . . . 1.64 110.387 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.59 -7.69 84.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.139 -0.553 . . . . 0.48 111.999 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.45 27.16 12.13 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.71 -0.757 . . . . 0.48 112.823 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 7.5 mtp85 -90.92 121.9 33.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.949 0.374 . . . . 1.1 110.23 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -100.4 121.74 42.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.812 -0.81 . . . . 2.27 108.812 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 48.2 p90 -157.29 173.6 16.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.238 0.542 . . . . 2.02 112.269 -177.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 138.7 46.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.876 -0.787 . . . . 3.12 108.876 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.23 162.3 41.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.741 0.305 . . . . 1.05 111.187 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -102.48 140.43 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.291 -0.413 . . . . 1.01 110.096 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.76 145.27 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.129 -0.487 . . . . 1.11 110.169 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -136.79 174.41 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.93 -0.396 . . . . 1.79 109.93 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.7 mtt -129.5 133.44 47.27 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.119 -0.326 . . . . 1.02 110.119 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -135.72 103.18 5.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.993 0.425 . . . . 2.67 111.131 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.75 36.24 61.83 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.885 -0.598 . . . . 0.6 113.076 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.68 23.67 66.73 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.952 -0.642 . . . . 0.42 112.54 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -127.56 127.11 43.37 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.535 -0.543 . . . . 2.39 109.535 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 100' ' ' THR . 2.2 mt -82.57 114.31 23.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.926 -0.398 . . . . 1.03 109.926 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.5 p -117.55 131.94 68.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.424 0.631 . . . . 1.08 110.787 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -107.56 144.17 34.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.553 -0.748 . . . . 1.03 110.244 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -97.3 121.56 39.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.444 -0.343 . . . . 1.19 110.87 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.524 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 70.5 m-85 -147.78 153.61 42.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.52 -0.764 . . . . 2.2 110.518 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.43 114.22 3.74 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.272 1.981 . . . . 0.42 110.92 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 65.08 10.59 6.46 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.249 0.62 . . . . 1.9 111.768 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.584 ' HA ' ' O ' ' A' ' 113' ' ' THR . 5.8 t80 -127.78 128.51 45.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.228 -0.656 . . . . 2.24 109.228 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.73 ' O ' ' HA ' ' A' ' 112' ' ' SER . 75.4 t60 -125.8 100.85 6.59 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.257 -0.883 . . . . 1.37 109.498 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -99.23 120.98 40.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.92 110.717 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 20.3 p -134.76 128.79 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.997 0.427 . . . . 1.03 111.542 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.34 130.92 54.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.727 -0.67 . . . . 1.09 110.879 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -150.18 172.36 15.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 1.38 110.808 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 44.5 mm -111.03 119.08 58.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.026 -0.731 . . . . 1.13 109.026 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.8 m -131.2 107.25 8.87 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 110.185 -0.302 . . . . 1.86 110.185 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.37 28.29 55.92 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.457 -0.657 . . . . 0.96 111.457 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.31 27.09 66.59 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.229 -0.51 . . . . 0.62 111.94 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -138.44 144.3 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.75 0.31 . . . . 1.8 111.257 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 3.1 tm? -82.69 113.8 20.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.962 -0.755 . . . . 1.49 108.962 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.18 108.34 23.62 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 109.004 -0.739 . . . . 1.1 109.004 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -96.61 137.2 36.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.608 -0.724 . . . . 1.69 110.131 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.42 119.98 56.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.517 -0.765 . . . . 1.14 109.07 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.73 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 0.0 OUTLIER -128.42 116.72 20.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.798 -0.637 . . . . 0.6 110.886 -177.675 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.584 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -89.05 139.97 29.92 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.654 -0.703 . . . . 1.03 110.884 179.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.4 p -130.96 96.09 3.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.78 -0.646 . . . . 1.92 110.242 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.0 m 54.02 30.88 12.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.711 -0.677 . . . . 1.17 111.667 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 116.28 -28.76 7.39 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.431 -0.89 . . . . 0.52 113.125 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -80.55 124.58 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.084 0.442 . . . . 1.24 110.481 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.0 t -98.42 110.46 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.975 0.417 . . . . 1.61 111.616 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -98.08 130.98 44.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.532 -0.758 . . . . 2.13 109.762 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -126.89 144.65 50.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.888 0.375 . . . . 1.77 111.39 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -144.92 121.79 11.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.233 -0.44 . . . . 3.06 111.078 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 20.9 m -98.75 129.25 45.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.927 -0.579 . . . . 1.13 110.002 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 m -124.59 139.47 53.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.475 -0.329 . . . . 0.67 110.703 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 17.7 pttm -82.8 150.25 26.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.287 -0.415 . . . . 2.01 110.04 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.529 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -96.57 123.65 40.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.136 0.493 . . . . 2.1 110.53 -179.643 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.482 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -139.24 168.99 17.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.78 -0.646 . . . . 1.13 109.504 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 119.125 -0.464 . . . . 1.27 110.114 178.808 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.544 0.212 . . . . 2.16 111.464 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.08 139.09 56.21 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.74 0.305 . . . . 1.02 111.259 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 170.6 11.91 Favored Glycine 0 N--CA 1.439 -1.131 0 C-N-CA 120.906 -0.664 . . . . 0.24 111.993 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -97.32 142.96 28.56 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.558 -0.905 . . . . 2.15 108.558 178.099 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 80.4 m-85 -128.09 140.58 51.87 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.694 -0.23 . . . . 2.2 110.397 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -124.32 142.09 51.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 1.41 110.944 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -47.92 119.37 2.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 114.956 -1.02 . . . . 2.7 111.799 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.4 -50.85 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 1.46 110.783 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -147.86 157.67 43.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.569 -0.287 . . . . 1.28 110.827 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -147.04 155.18 42.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.568 -0.53 . . . . 1.72 109.568 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.49 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 24.3 tt0 -147.35 137.41 23.1 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.999 -0.546 . . . . 1.44 110.02 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 64.06 37.52 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.247 -0.888 . . . . 1.16 111.257 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -64.69 -62.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 2.27 110.992 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HA ' HG22 ' A' ' 18' ' ' VAL . 7.5 m-20 -57.93 -40.1 79.63 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.315 -0.402 . . . . 1.3 110.963 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -43.79 94.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.095 0.474 . . . . 1.46 110.513 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.426 ' O ' HG12 ' A' ' 21' ' ' ILE . 63.1 t80 -66.12 -52.63 46.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.654 -0.703 . . . . 2.15 111.297 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.4 m -62.38 -34.86 66.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 1.08 111.622 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.68 -25.04 58.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.991 0.424 . . . . 1.67 110.405 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -80.85 -44.0 19.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 1.53 111.451 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 17' ' ' PHE . 14.6 pt -77.96 -6.56 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.895 0.331 . . . . 1.06 111.895 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.49 32.29 42.74 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.098 -0.572 . . . . 0.42 113.544 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.68 132.21 85.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.886 0.343 . . . . 1.11 110.251 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.436 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 31.1 Cg_endo -65.2 140.23 63.93 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 121.878 1.718 . . . . 0.4 111.553 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.91 -39.58 54.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.775 0.658 . . . . 1.12 112.775 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 30' ' ' MET . 1.4 m-20 -62.3 -32.81 73.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.59 -0.277 . . . . 2.03 111.616 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 61.3 mmtt -86.49 -30.8 21.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.711 -0.478 . . . . 1.47 109.711 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.53 -60.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.501 -0.772 . . . . 1.13 110.613 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -62.86 -24.68 67.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.587 -0.733 . . . . 1.73 111.295 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.45 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 7.8 tpt -73.46 -45.72 52.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.439 -0.8 . . . . 1.63 110.342 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.73 25.65 26.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.51 114.076 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -114.18 142.8 45.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 117.439 0.619 . . . . 2.94 110.875 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 60.04 19.62 8.78 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.106 -0.952 . . . . 2.14 110.475 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.7 m -98.8 138.71 35.56 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.485 -0.78 . . . . 1.22 110.415 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 89.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 3.03 111.405 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mm -85.5 122.02 37.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.019 -0.537 . . . . 1.4 109.911 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.7 t -100.0 131.41 47.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.88 -0.415 . . . . 1.11 109.88 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.666 ' HA ' ' O ' ' A' ' 50' ' ' THR . 52.0 m -113.87 108.98 17.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 1.05 110.342 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -97.42 116.52 29.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.883 -0.414 . . . . 1.39 109.883 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 48' ' ' THR . 79.1 t -111.22 129.98 65.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 123.534 0.521 . . . . 1.03 111.104 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.64 134.9 62.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.289 -1.004 . . . . 1.56 108.289 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -98.25 115.57 28.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.176 0.512 . . . . 2.06 111.377 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -128.06 81.6 2.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.639 -0.71 . . . . 2.31 109.569 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.31 -91.98 0.75 Allowed Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.96 -0.856 . . . . 0.42 110.96 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.61 10.11 4.0 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.241 -0.651 . . . . 0.51 109.241 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 18.8 t70 -105.4 109.35 21.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.885 . . . . 1.36 109.032 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -100.03 130.8 46.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.931 0.396 . . . . 1.66 110.171 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 73.2 p -93.46 121.07 34.48 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.936 -0.575 . . . . 1.34 110.726 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -103.31 109.25 20.79 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.647 -0.501 . . . . 0.48 109.647 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.666 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.5 m -111.36 120.36 41.95 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.042 -0.526 . . . . 1.1 110.99 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -109.66 117.95 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.925 0.393 . . . . 1.62 110.074 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -101.62 134.11 45.27 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.93 -0.577 . . . . 0.46 110.522 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.471 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 3.7 t80 -112.2 125.24 30.48 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 115.093 -0.958 . . . . 2.11 109.965 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.7 Cg_endo -62.71 115.22 2.78 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.471 2.114 . . . . 0.51 112.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.99 28.55 72.96 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.899 -0.591 . . . . 0.52 113.263 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.5 -165.57 11.95 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.358 -0.925 . . . . 0.41 113.303 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.42 143.84 46.59 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.1 0.476 . . . . 3.97 111.798 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.0 t -104.1 159.46 15.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.877 -0.602 . . . . 1.07 110.082 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.99 139.16 42.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.18 -0.304 . . . . 1.11 110.18 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -145.71 114.3 6.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.861 0.362 . . . . 1.04 111.406 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.8 129.45 44.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.146 0.498 . . . . 2.22 110.693 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.8 p -105.54 141.47 36.96 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.432 -0.804 . . . . 1.32 109.544 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 46' ' ' ASP . 45.1 p90 -140.91 141.72 34.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.095 0.474 . . . . 1.55 112.185 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 52.0 m -104.85 130.75 52.93 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.134 -0.691 . . . . 1.03 109.134 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -57.01 124.37 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.042 0.448 . . . . 1.05 110.955 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 73.26 27.8 1.9 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.93 -1.032 . . . . 1.1 109.923 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.532 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 43.6 tptt -139.36 147.72 41.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.273 -0.876 . . . . 2.09 110.577 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.93 139.81 55.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.066 -0.716 . . . . 2.55 109.066 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -134.41 141.51 46.85 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.311 0.577 . . . . 1.04 112.376 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.43 113.49 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.72 -1.127 . . . . 1.95 108.466 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.486 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 27.1 mtt -119.73 169.93 9.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.428 0.632 . . . . 1.01 112.495 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 7.1 tt0 -158.71 140.71 13.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.668 -1.151 . . . . 1.47 108.338 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.0 p -91.27 -177.26 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.946 0.403 . . . . 1.03 111.014 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 46.3 mtp -83.55 -5.13 59.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.223 -0.444 . . . . 1.64 109.874 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.07 -18.55 39.36 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.281 -0.728 . . . . 0.48 111.281 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.46 19.2 8.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.152 -0.547 . . . . 0.48 113.239 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.579 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 14.7 mtp85 -85.2 123.54 30.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.062 0.431 . . . . 1.1 110.169 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.09 122.3 44.38 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.884 -0.784 . . . . 2.27 108.884 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 35.4 p90 -153.4 175.88 12.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.076 0.465 . . . . 2.02 111.664 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.88 137.6 46.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.076 -0.712 . . . . 3.12 109.076 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.59 161.41 41.75 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.814 0.34 . . . . 1.05 111.116 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.22 132.94 49.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.03 -0.532 . . . . 1.01 109.645 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.49 142.31 32.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.415 -0.357 . . . . 1.11 110.052 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -135.91 -176.41 4.3 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.451 -0.574 . . . . 1.79 109.451 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.404 ' HE3' HG12 ' A' ' 90' ' ' ILE . 3.2 mtt -125.16 150.38 46.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.651 0.263 . . . . 1.02 110.765 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.1 78.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.895 0.379 . . . . 2.67 111.131 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.82 50.6 10.77 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.549 -0.834 . . . . 0.6 113.124 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.9 15.44 81.19 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.888 -0.673 . . . . 0.42 112.82 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -127.06 124.32 39.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.952 -0.758 . . . . 2.39 108.952 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.404 HG12 ' HE3' ' A' ' 85' ' ' MET . 3.0 mt -78.42 121.48 31.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.528 0.204 . . . . 1.03 110.982 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.28 126.54 75.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.389 0.614 . . . . 1.08 110.895 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -101.46 137.59 39.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.747 -0.661 . . . . 1.03 109.835 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -97.06 122.09 39.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.095 0.474 . . . . 1.19 111.265 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.469 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 73.4 m-85 -145.63 151.92 47.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.166 -0.925 . . . . 2.2 110.363 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -72.87 113.27 3.72 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.175 1.917 . . . . 0.42 111.702 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.449 ' O ' ' HA ' ' A' ' 114' ' ' SER . 0.9 OUTLIER 66.03 16.53 10.5 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.778 -0.646 . . . . 1.9 110.855 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.571 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.2 t80 -136.94 128.52 28.63 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.724 -0.843 . . . . 2.24 108.724 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.6 ' O ' ' HA ' ' A' ' 112' ' ' SER . 24.5 t60 -126.93 116.59 21.04 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.36 -0.382 . . . . 1.37 110.11 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -119.58 120.36 36.48 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.989 0.181 . . . . 0.92 110.759 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.7 p -129.9 135.6 48.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.542 -0.299 . . . . 1.03 111.125 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.86 127.85 54.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.963 -0.562 . . . . 1.09 110.252 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.89 170.33 18.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.044 0.45 . . . . 1.38 110.858 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 34.6 mm -110.35 115.51 49.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.682 -0.69 . . . . 1.13 109.181 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.3 m -133.31 104.08 6.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.098 0.475 . . . . 1.86 110.452 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.65 28.3 27.16 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.533 -0.627 . . . . 0.96 111.533 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.84 21.59 79.65 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.161 -0.776 . . . . 0.62 111.161 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -133.96 152.4 51.84 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.95 0.405 . . . . 1.8 110.714 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -92.19 116.23 28.77 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.614 -0.884 . . . . 1.49 108.614 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 p -121.73 118.61 56.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 121.16 0.505 . . . . 1.1 110.266 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -103.9 141.01 36.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.616 -0.72 . . . . 1.69 110.545 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.458 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.1 mp -122.24 120.79 62.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.651 -0.704 . . . . 1.14 109.816 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.6 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.5 m -119.74 109.36 15.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.6 110.279 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -97.07 136.07 38.15 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.002 -0.544 . . . . 1.03 110.639 179.71 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 67.0 m -147.02 110.87 5.0 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.335 0.397 . . . . 1.92 110.901 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.5 m 55.32 33.85 21.61 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.552 -0.749 . . . . 1.17 112.617 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.76 -26.46 21.02 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.42 -0.895 . . . . 0.52 113.658 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 113' ' ' THR . 87.7 t -83.38 126.5 40.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.353 0.576 . . . . 1.24 111.075 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.46 HG11 ' O ' ' A' ' 118' ' ' VAL . 6.7 p -105.97 109.96 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.752 0.787 . . . . 1.61 110.883 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.402 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 27.7 t80 -95.33 116.45 28.79 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.484 -0.78 . . . . 2.13 110.384 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.49 ' HD2' ' OE2' ' A' ' 12' ' ' GLU . 68.0 mttt -106.55 143.71 34.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.151 -0.477 . . . . 1.77 110.568 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.84 122.71 12.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.807 -0.633 . . . . 3.06 109.888 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 33.7 m -106.12 123.51 48.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.734 -0.667 . . . . 1.13 110.042 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.7 m -123.72 132.12 53.75 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.873 -0.417 . . . . 0.67 109.873 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 12.6 pttm -77.31 154.0 33.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 2.01 110.27 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 127.87 42.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.954 -0.567 . . . . 2.1 110.112 -179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.418 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -141.57 166.4 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.015 -0.539 . . . . 1.13 110.064 178.729 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 117.831 -1.081 . . . . 1.27 108.937 178.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 111.717 0.266 . . . . 2.16 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' ' 42' ' ' GLN . 1.3 m -55.74 136.86 50.64 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.925 0.393 . . . . 1.02 111.621 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.508 ' HA3' ' HE3' ' A' ' 125' ' ' LYS . . . 134.73 172.37 12.77 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.454 -0.879 . . . . 0.24 112.293 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.2 OUTLIER -100.85 145.72 28.22 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.751 -0.833 . . . . 2.15 108.751 178.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 93.5 m-85 -127.12 141.63 51.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.48 -0.327 . . . . 2.2 110.808 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -126.9 159.19 34.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.827 -0.624 . . . . 1.41 110.086 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.24 128.29 33.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 123.773 0.671 . . . . 2.7 111.029 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 122' ' ' THR . 12.0 tp10 -127.07 -52.62 1.41 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.747 -0.66 . . . . 1.46 110.051 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -152.49 163.12 40.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.995 -0.548 . . . . 1.28 110.256 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 1.1 p30 -156.61 152.71 27.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.757 -0.46 . . . . 1.72 109.757 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -141.31 140.01 33.73 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.126 -0.488 . . . . 1.44 109.895 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 60.9 31.65 20.0 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.045 0.841 . . . . 1.16 111.209 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.414 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 49.2 t80 -58.5 -62.61 1.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.611 0.226 . . . . 2.27 111.611 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.45 ' O ' HG22 ' A' ' 18' ' ' VAL . 6.1 m-20 -60.95 -42.94 99.22 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.583 -0.28 . . . . 1.3 110.86 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -38.7 76.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.87 0.367 . . . . 1.46 110.604 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 21' ' ' ILE . 74.0 t80 -69.23 -55.8 9.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.048 -0.524 . . . . 2.15 111.289 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 15' ' ' ASP . 27.0 m -60.06 -36.25 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 1.08 111.791 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -72.35 -30.27 64.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.964 0.411 . . . . 1.67 110.303 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.71 -45.16 38.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 1.53 111.422 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.4 pt -74.04 -11.94 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 1.06 111.531 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.7 29.7 34.69 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.714 -0.755 . . . . 0.42 112.998 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 tp -68.1 133.26 91.73 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.169 -0.678 . . . . 1.11 109.169 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.462 ' O ' HG13 ' A' ' 28' ' ' ILE . 29.7 Cg_endo -65.43 137.55 51.42 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.157 1.904 . . . . 0.4 111.447 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.66 -35.65 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.195 0.522 . . . . 1.12 111.164 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 30' ' ' MET . 33.6 t70 -56.89 -37.9 72.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.024 -0.989 . . . . 2.03 111.085 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 40.9 mmtt -90.63 -32.95 16.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.366 -0.379 . . . . 1.47 111.179 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 24' ' ' PRO . 87.1 mt -57.52 -60.46 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.816 -0.629 . . . . 1.13 111.246 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.71 -22.66 66.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.871 -0.604 . . . . 1.73 110.652 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.47 ' O ' ' HE3' ' A' ' 30' ' ' MET . 8.0 tpt -71.47 -37.14 71.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.355 -0.839 . . . . 1.63 110.032 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.1 25.39 14.17 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.565 -0.826 . . . . 0.51 114.057 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -105.29 135.81 45.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.621 0.71 . . . . 2.94 110.957 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.59 23.94 9.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.293 -0.867 . . . . 2.14 110.571 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.2 m -91.54 149.36 21.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.498 -0.774 . . . . 1.22 110.341 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 76.8 4.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.222 0.534 . . . . 3.03 111.531 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.08 117.32 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.836 -0.62 . . . . 1.4 109.648 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 9.5 t -97.69 122.85 49.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 116.07 -0.514 . . . . 1.11 109.772 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.627 ' HA ' ' O ' ' A' ' 50' ' ' THR . 40.7 m -109.35 106.1 15.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.173 -0.467 . . . . 1.05 110.375 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -95.94 118.35 32.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.559 -0.291 . . . . 1.39 110.44 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.01 125.29 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 123.811 0.694 . . . . 1.03 111.264 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.448 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 96.6 t -110.2 126.61 67.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.903 -0.777 . . . . 1.56 108.903 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HB3' ' OG1' ' A' ' 3' ' ' THR . 13.5 pt20 -81.97 120.54 25.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.225 0.536 . . . . 2.06 111.967 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.427 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 1.3 t-20 -142.19 79.49 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.806 -0.813 . . . . 2.31 108.806 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.1 -101.46 0.43 Allowed Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 114.928 -1.033 . . . . 0.42 112.113 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.47 -17.86 13.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 120.878 -0.329 . . . . 0.51 111.473 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.536 ' HB3' ' OG1' ' A' ' 64' ' ' THR . 0.2 OUTLIER -87.2 110.85 20.44 Favored 'General case' 0 N--CA 1.421 -1.886 0 CA-C-O 121.601 0.715 . . . . 1.36 111.824 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -101.53 133.12 46.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.113 -0.948 . . . . 1.66 109.477 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.448 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.6 OUTLIER -97.84 119.53 36.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.96 0.41 . . . . 1.34 111.071 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -99.14 104.52 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.953 -0.567 . . . . 0.48 109.806 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.4 m -103.05 118.06 35.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.922 -0.581 . . . . 1.1 110.996 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -103.94 119.48 39.01 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.782 0.325 . . . . 1.62 110.399 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.32 128.43 50.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.081 0.467 . . . . 0.46 110.108 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.464 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.4 t80 -109.91 124.05 34.59 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.653 -0.703 . . . . 2.11 110.417 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.3 Cg_endo -60.12 115.07 2.39 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.657 2.238 . . . . 0.51 111.909 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.62 27.34 67.99 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.763 -0.653 . . . . 0.52 112.793 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.24 -169.13 13.38 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.969 -1.11 . . . . 0.41 113.571 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.57 147.61 51.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.197 0.522 . . . . 3.97 112.013 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 t -105.81 159.48 15.97 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.251 -0.648 . . . . 1.07 109.251 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.8 m -146.24 120.13 9.32 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.72 0.295 . . . . 1.11 110.239 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 m -121.68 124.52 44.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.616 -0.265 . . . . 1.04 110.803 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.43 133.99 54.61 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.127 0.489 . . . . 2.22 110.946 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.6 p -111.88 127.29 55.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.568 -0.742 . . . . 1.32 110.18 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 46' ' ' ASP . 45.7 p90 -136.16 151.97 50.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 1.55 110.847 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.536 ' OG1' ' HB3' ' A' ' 46' ' ' ASP . 97.9 m -120.97 133.03 55.26 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.038 -0.528 . . . . 1.03 109.995 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.7 mm -57.23 127.27 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.829 0.347 . . . . 1.05 111.049 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t70 70.76 24.24 4.3 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.912 0.885 . . . . 1.1 109.629 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.53 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 17.9 tptm -136.93 141.32 42.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.976 -1.011 . . . . 2.09 110.82 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' O ' ' HE2' ' A' ' 67' ' ' LYS . 16.6 pt-20 -69.72 133.88 48.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.368 -0.605 . . . . 2.55 109.368 177.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -127.72 159.63 34.18 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.109 0.48 . . . . 1.04 111.863 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -102.65 124.55 48.4 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.544 -0.91 . . . . 1.95 108.544 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.603 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 6.1 mtt -129.34 162.18 28.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.763 0.792 . . . . 1.01 112.157 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.659 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -148.3 135.17 20.03 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.128 -1.434 . . . . 1.47 107.128 178.181 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.7 p -87.68 176.27 7.5 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.546 -0.462 . . . . 1.03 110.724 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.2 mtp -79.53 -5.62 55.25 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.236 -0.653 . . . . 1.64 109.236 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.22 -11.9 58.04 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.657 -0.701 . . . . 0.48 111.659 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.95 29.79 6.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.149 -0.548 . . . . 0.48 113.301 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.659 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 22.0 mtp85 -97.52 119.3 35.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.986 0.393 . . . . 1.1 110.872 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -98.09 122.5 41.3 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.802 -0.814 . . . . 2.27 108.802 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 51.2 p90 -156.36 169.6 24.22 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.633 0.73 . . . . 2.02 112.704 -178.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.06 137.39 52.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.924 -1.035 . . . . 3.12 108.966 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.63 158.63 44.34 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.934 0.397 . . . . 1.05 111.173 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -104.2 135.7 45.19 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.939 -0.573 . . . . 1.01 109.851 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 t -116.09 145.17 22.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.181 -0.463 . . . . 1.11 110.739 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.447 ' CG ' HG13 ' A' ' 91' ' ' VAL . 15.0 pttt -133.94 175.78 9.16 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.559 -0.534 . . . . 1.79 109.559 179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.0 mtt -128.94 125.66 37.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.846 0.355 . . . . 1.02 111.124 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 6.6 pt-20 -118.14 89.22 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.057 -0.52 . . . . 2.67 111.507 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.64 50.24 44.26 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.061 -0.59 . . . . 0.6 113.074 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.07 17.66 79.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.857 -0.687 . . . . 0.42 112.746 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.41 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -124.03 116.87 23.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.534 -0.543 . . . . 2.39 109.534 179.612 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.1 mt -77.71 110.95 13.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.0 -0.545 . . . . 1.03 110.621 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.447 HG13 ' CG ' ' A' ' 84' ' ' LYS . 3.4 p -113.97 131.99 64.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.151 0.5 . . . . 1.08 110.544 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -113.75 143.66 44.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.856 -0.611 . . . . 1.03 110.535 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -96.79 126.84 42.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.243 -0.435 . . . . 1.19 111.403 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.475 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 82.4 m-85 -143.68 152.04 55.13 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 2.2 109.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -68.93 114.11 3.46 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 121.86 1.706 . . . . 0.42 112.306 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 114' ' ' SER . 62.3 t30 62.43 22.91 13.56 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.934 0.873 . . . . 1.9 110.549 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.553 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.7 t80 -142.01 121.23 13.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.344 -0.844 . . . . 2.24 109.769 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -114.06 110.92 20.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.421 -0.585 . . . . 1.37 109.421 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -115.15 122.88 47.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.228 0.33 . . . . 0.92 111.37 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.7 p -131.89 130.64 41.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.874 -0.603 . . . . 1.03 110.758 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.0 130.26 56.55 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.693 -0.484 . . . . 1.09 109.693 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -155.11 171.27 20.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.012 0.434 . . . . 1.38 111.037 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.7 mm -112.54 128.3 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.598 -0.728 . . . . 1.13 110.074 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.8 m -142.68 116.05 9.03 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.866 -0.42 . . . . 1.86 109.866 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.15 29.31 66.81 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.756 -0.735 . . . . 0.96 111.596 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.93 23.2 78.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.003 -0.618 . . . . 0.62 111.801 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.16 148.67 52.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 1.8 110.891 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.9 tm? -90.91 124.8 35.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.939 -0.763 . . . . 1.49 108.939 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.7 p -130.87 114.1 26.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 121.428 0.632 . . . . 1.1 110.431 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -104.24 120.84 42.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.574 -0.739 . . . . 1.69 109.801 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.37 130.24 48.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.113 -0.494 . . . . 1.14 109.765 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 m -125.33 104.5 8.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.087 -0.506 . . . . 0.6 110.924 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.553 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -95.39 134.59 38.02 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.676 -0.49 . . . . 1.03 109.676 178.492 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.483 ' O ' HG13 ' A' ' 117' ' ' VAL . 6.9 t -153.07 119.54 5.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.921 0.391 . . . . 1.92 110.478 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 m 59.9 25.29 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.705 -0.679 . . . . 1.17 111.983 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.12 -27.24 20.22 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.473 -0.87 . . . . 0.52 113.279 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 114' ' ' SER . 1.7 p -80.31 134.87 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.902 0.382 . . . . 1.24 110.244 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.461 HG11 ' O ' ' A' ' 118' ' ' VAL . 7.2 p -108.98 115.03 48.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.317 0.579 . . . . 1.61 111.425 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.402 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 39.4 t80 -98.94 132.55 44.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.871 -0.604 . . . . 2.13 110.149 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -130.37 139.47 50.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.355 -0.384 . . . . 1.77 110.009 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.0 ptt85 -144.48 123.67 12.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.296 0.569 . . . . 3.06 110.843 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 2.8 m -93.26 125.98 38.13 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.12 -0.945 . . . . 1.13 109.899 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m -120.33 131.1 54.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.757 -0.46 . . . . 0.67 109.757 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.4 pttm -80.03 148.24 31.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.317 -0.401 . . . . 2.01 110.37 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.508 ' HE3' ' HA3' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -94.66 123.1 37.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.212 0.53 . . . . 2.1 110.843 -179.134 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.9 167.03 14.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.717 -0.674 . . . . 1.13 109.623 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.63 -0.7 . . . . 1.27 110.165 178.642 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.651 0.263 . . . . 2.16 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.7 m -58.72 140.08 55.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 1.02 111.329 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.466 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 132.97 172.53 13.03 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 119.951 -1.119 . . . . 0.24 112.258 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -101.99 143.67 31.56 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.156 -0.683 . . . . 2.15 109.156 178.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.619 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 74.2 m-85 -129.18 139.88 51.73 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.347 -0.388 . . . . 2.2 110.497 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -124.83 151.91 44.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.263 -0.643 . . . . 1.41 109.263 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -48.55 118.96 2.76 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.742 0.651 . . . . 2.7 112.034 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.511 ' OE1' ' HB3' ' A' ' 124' ' ' LYS . 0.8 OUTLIER -110.04 -47.76 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.439 -0.8 . . . . 1.46 109.512 179.204 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m -161.56 174.35 13.49 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.136 -0.484 . . . . 1.28 110.237 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.53 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -156.95 163.71 38.83 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.659 -0.497 . . . . 1.72 109.659 179.835 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 23.6 tt0 -151.12 139.11 20.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 1.44 110.486 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 63.01 33.63 14.62 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.19 0.931 . . . . 1.16 111.954 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.53 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 89.2 t80 -61.57 -59.54 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.667 0.27 . . . . 2.27 111.351 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.15 -44.16 74.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.604 . . . . 1.3 111.182 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.17 -44.67 96.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.962 -0.563 . . . . 1.46 110.571 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.467 ' O ' HG12 ' A' ' 21' ' ' ILE . 73.1 t80 -62.71 -55.73 24.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.723 -0.671 . . . . 2.15 111.391 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.47 -35.89 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.08 111.525 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -74.55 -30.54 61.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 1.67 110.873 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -73.4 -45.44 54.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.381 -0.372 . . . . 1.53 111.036 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 17' ' ' PHE . 35.4 pt -74.53 -12.78 15.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.963 0.411 . . . . 1.06 110.901 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.3 36.02 31.99 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.964 -0.636 . . . . 0.42 112.742 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 tp -69.14 132.97 89.84 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.877 -0.416 . . . . 1.11 109.877 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.78 141.67 66.63 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.164 1.909 . . . . 0.4 111.492 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.97 -37.66 53.86 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.526 0.516 . . . . 1.12 111.68 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -57.25 -37.06 71.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.651 -0.704 . . . . 2.03 111.595 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -88.36 -35.33 17.22 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.032 -0.267 . . . . 1.47 110.377 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.41 -58.24 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.852 -0.613 . . . . 1.13 110.603 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.51 -27.25 69.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 1.73 111.405 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.406 ' HE2' ' O ' ' A' ' 30' ' ' MET . 11.0 tpt -75.01 -36.78 61.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.076 -0.511 . . . . 1.63 110.294 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.23 40.15 2.58 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.767 -0.73 . . . . 0.51 113.201 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -101.93 118.01 36.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.346 0.573 . . . . 2.94 110.921 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.13 22.5 11.76 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.592 -0.731 . . . . 2.14 112.078 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.1 m -76.56 148.29 37.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.295 -0.411 . . . . 1.22 110.13 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.61 81.58 7.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.186 0.517 . . . . 3.03 111.488 -179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -82.45 114.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.939 -0.573 . . . . 1.4 109.662 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 6.6 t -79.81 135.09 26.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.073 -0.512 . . . . 1.11 110.29 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 50' ' ' THR . 27.9 m -116.8 107.24 14.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.083 -0.508 . . . . 1.05 109.914 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 2.3 mm-40 -102.16 121.65 42.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.746 0.307 . . . . 1.39 110.782 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 48' ' ' THR . 58.0 t -116.46 134.72 59.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.651 -0.704 . . . . 1.03 111.316 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.4 p -119.74 140.26 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.721 -0.844 . . . . 1.56 108.721 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.454 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 46.1 tp60 -85.35 121.37 27.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.697 0.284 . . . . 2.06 111.198 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -142.17 72.91 1.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 2.31 110.203 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.5 -104.54 1.08 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.162 -0.775 . . . . 0.42 111.162 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.61 7.16 13.54 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.381 0.61 . . . . 0.51 109.358 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.477 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 34.4 t70 -100.89 108.53 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.114 -0.948 . . . . 1.36 108.996 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -106.86 132.98 52.21 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.097 -0.705 . . . . 1.66 109.097 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 70.1 p -99.71 130.72 45.95 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.979 -0.288 . . . . 1.34 110.922 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -111.11 100.51 9.16 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.66 -0.867 . . . . 0.48 108.66 178.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 38' ' ' THR . 5.2 m -101.03 111.34 23.52 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.08 -0.509 . . . . 1.1 110.671 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.446 ' NE2' HG22 ' A' ' 38' ' ' THR . 5.0 mp0 -100.53 117.37 34.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.477 -0.329 . . . . 1.62 110.197 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.419 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 93.4 m-70 -105.54 132.27 51.91 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.865 -0.42 . . . . 0.46 109.865 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -101.24 133.84 20.69 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.942 -0.572 . . . . 2.11 109.806 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.06 112.79 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.08 1.853 . . . . 0.51 111.752 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.76 22.11 67.93 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.961 -0.638 . . . . 0.52 112.489 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.31 -167.53 10.99 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.358 -0.925 . . . . 0.41 113.517 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.08 142.83 50.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.35 0.595 . . . . 3.97 112.167 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -96.9 159.71 14.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.825 -0.625 . . . . 1.07 110.109 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -139.47 108.8 6.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.36 -0.382 . . . . 1.11 110.005 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.6 m -113.44 129.93 56.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.052 0.39 . . . . 1.04 112.052 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -132.79 142.64 49.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.716 -0.476 . . . . 2.22 109.716 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.2 p -124.31 122.82 38.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.105 -0.702 . . . . 1.32 109.105 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -130.58 139.34 50.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.397 0.618 . . . . 1.55 112.509 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 46' ' ' ASP . 39.3 m -103.36 127.43 50.72 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.027 -0.988 . . . . 1.03 108.715 178.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.2 mm -55.39 127.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.058 0.224 . . . . 1.05 110.579 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t0 75.81 20.08 1.85 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.163 0.914 . . . . 1.1 110.433 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 25.2 tptt -135.12 146.15 48.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.502 -0.772 . . . . 2.09 110.279 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 36.4 mp0 -74.72 124.01 25.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.035 -0.529 . . . . 2.55 109.728 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -116.81 156.25 27.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.176 0.513 . . . . 1.04 112.178 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.16 122.85 35.96 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.304 -0.999 . . . . 1.95 108.304 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.576 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 8.9 mtt -127.41 166.08 18.58 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.432 0.634 . . . . 1.01 112.176 -178.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.654 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 22.6 tt0 -148.18 146.79 28.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.456 -1.247 . . . . 1.47 108.93 178.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.1 p -100.45 169.21 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.489 -0.56 . . . . 1.03 109.489 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.2 mtt -73.95 -0.57 16.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.222 0.534 . . . . 1.64 110.129 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.48 -8.21 61.26 Favored Glycine 0 N--CA 1.439 -1.144 0 N-CA-C 110.831 -0.908 . . . . 0.48 110.831 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.29 34.37 6.75 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 121.02 -0.609 . . . . 0.48 112.749 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.654 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 18.7 mtp180 -100.67 126.47 47.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.948 -0.148 . . . . 1.1 111.169 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -103.81 121.52 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.977 -0.749 . . . . 2.27 108.977 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 45.6 p90 -155.61 176.39 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.027 0.441 . . . . 2.02 111.65 -178.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.26 145.55 51.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.761 -0.829 . . . . 3.12 108.761 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.69 159.6 39.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 1.05 111.51 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -101.08 130.04 47.05 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.126 -0.488 . . . . 1.01 110.297 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.0 t -114.26 139.66 38.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.219 -0.446 . . . . 1.11 110.209 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -130.2 -179.98 5.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.659 -0.497 . . . . 1.79 109.659 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mtt -127.51 135.2 50.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.696 0.284 . . . . 1.02 110.33 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -120.56 91.0 3.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.135 -0.484 . . . . 2.67 111.402 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.95 50.03 63.63 Favored Glycine 0 CA--C 1.516 0.147 0 C-N-CA 121.027 -0.606 . . . . 0.6 113.77 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.61 15.09 81.36 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.466 -0.873 . . . . 0.42 113.25 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -127.5 125.73 40.98 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.813 -0.81 . . . . 2.39 108.813 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 100' ' ' THR . 3.3 mt -78.35 122.71 33.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.819 0.342 . . . . 1.03 111.116 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.78 130.35 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 121.422 0.63 . . . . 1.08 110.588 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -109.14 138.41 45.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.627 -0.715 . . . . 1.03 110.508 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.43 125.99 39.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.236 0.541 . . . . 1.19 111.712 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.489 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 66.6 m-85 -148.8 156.87 41.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.289 -0.869 . . . . 2.2 110.975 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.86 114.55 4.0 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.281 1.987 . . . . 0.42 111.775 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.545 ' O ' ' HA ' ' A' ' 114' ' ' SER . 55.0 m-80 64.16 16.05 9.76 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.187 0.595 . . . . 1.9 111.478 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.489 ' HB3' ' HB2' ' A' ' 94' ' ' PHE . 3.7 t80 -133.37 130.85 39.35 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.623 -0.51 . . . . 2.24 109.623 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -126.98 105.87 8.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.826 -0.624 . . . . 1.37 109.507 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -110.71 118.34 35.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.535 -0.302 . . . . 0.92 111.766 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 33.0 p -128.45 130.69 47.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.003 -0.544 . . . . 1.03 110.477 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.41 130.38 56.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.046 -0.524 . . . . 1.09 109.964 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -151.96 168.09 26.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.178 0.513 . . . . 1.38 110.981 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.7 mm -109.81 123.86 66.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.241 -0.891 . . . . 1.13 110.165 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 m -130.79 103.42 6.57 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.099 0.476 . . . . 1.86 110.472 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.93 32.32 63.7 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.59 -0.732 . . . . 0.96 112.716 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.25 21.37 73.38 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.709 -0.758 . . . . 0.62 111.987 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.5 140.06 51.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.758 0.313 . . . . 1.8 110.428 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.2 tm? -85.9 118.06 25.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.852 -0.795 . . . . 1.49 108.852 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.14 105.94 16.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-O 121.485 0.659 . . . . 1.1 109.806 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -96.12 135.05 38.44 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.532 -0.758 . . . . 1.69 110.309 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.493 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.1 mp -113.52 128.47 70.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.136 -0.69 . . . . 1.14 109.136 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.9 m -123.59 103.67 8.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.874 -0.603 . . . . 0.6 110.099 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -92.2 123.68 35.72 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.214 -0.448 . . . . 1.03 110.094 179.208 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 62.8 m -133.16 106.58 7.67 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 121.118 0.485 . . . . 1.92 110.406 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.3 m 58.24 35.4 24.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.955 -1.02 . . . . 1.17 111.797 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.53 -36.75 4.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.64 -0.791 . . . . 0.52 113.528 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.67 119.68 19.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.863 0.363 . . . . 1.24 110.958 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.5 t -95.53 110.12 23.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 1.61 111.105 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -97.88 128.16 44.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.958 -0.565 . . . . 2.13 109.714 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.493 ' HG2' HG13 ' A' ' 111' ' ' ILE . 52.2 mttt -119.23 141.69 48.69 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.706 0.289 . . . . 1.77 110.618 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -137.13 119.93 16.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.411 0.624 . . . . 3.06 109.888 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.81 132.84 43.06 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.44 -0.8 . . . . 1.13 109.88 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.6 m -134.65 131.81 38.21 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.941 0.401 . . . . 0.67 110.042 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.511 ' HB3' ' OE1' ' A' ' 9' ' ' GLU . 65.4 pttt -79.77 149.7 31.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.263 -0.426 . . . . 2.01 111.061 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.619 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -90.72 117.7 29.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.152 0.501 . . . . 2.1 110.245 179.314 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.544 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -133.17 169.75 21.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.449 -0.796 . . . . 1.13 109.774 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.405 0 CA-C-O 118.38 -0.819 . . . . 1.27 109.244 177.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.497 0.189 . . . . 2.16 111.132 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -64.02 144.67 56.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 1.02 111.711 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.03 169.0 12.42 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.585 -0.817 . . . . 0.24 111.948 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 142.36 29.39 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.833 -1.173 . . . . 2.15 107.833 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 82.7 m-85 -128.22 138.89 52.65 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.801 0.334 . . . . 2.2 110.645 -178.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -119.71 152.02 37.83 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.155 -0.475 . . . . 1.41 109.953 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.49 121.53 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.804 0.69 . . . . 2.7 111.106 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 122' ' ' THR . 2.0 tt0 -117.65 -43.75 2.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 1.46 110.994 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -154.31 172.77 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.311 . . . . 1.28 111.469 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.32 153.22 27.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.751 -0.659 . . . . 1.72 110.292 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.46 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 30.1 tt0 -147.33 137.54 23.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.474 -0.784 . . . . 1.44 110.259 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 60.81 34.77 19.64 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.294 -0.866 . . . . 1.16 111.24 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -64.31 -58.46 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 2.27 111.541 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.31 -39.03 88.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.3 111.488 -178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 4.2 m-20 -63.44 -40.33 96.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.193 0.521 . . . . 1.46 110.08 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -66.59 -55.64 14.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.209 -0.905 . . . . 2.15 111.444 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.7 m -59.22 -38.55 75.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 1.08 112.046 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -72.93 -28.23 62.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 1.67 111.084 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 16' ' ' ASP . 37.2 tptt -76.54 -44.73 33.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.217 -0.447 . . . . 1.53 111.709 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.3 pt -77.03 -14.21 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.283 -0.417 . . . . 1.06 112.063 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.37 36.12 15.42 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.581 -0.819 . . . . 0.42 112.819 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' HD11 ' A' ' 28' ' ' ILE . 16.0 tp -70.94 133.53 86.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.16 -0.682 . . . . 1.11 109.16 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' HG13 ' A' ' 28' ' ' ILE . 28.6 Cg_endo -65.9 140.2 59.85 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.148 1.899 . . . . 0.4 111.324 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.79 -34.92 60.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 1.12 110.999 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.72 -43.98 69.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 2.03 111.009 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -88.62 -29.97 19.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.104 -0.498 . . . . 1.47 110.776 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 24' ' ' PRO . 67.9 mt -58.55 -58.28 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 1.13 110.403 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.516 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 16.4 mm-40 -67.65 -24.58 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 1.73 111.369 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.424 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 9.8 tpt -81.42 -22.79 37.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.889 -0.596 . . . . 1.63 111.471 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.93 19.71 15.29 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 119.94 -1.124 . . . . 0.51 113.471 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.516 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.3 ptp180 -107.29 131.46 54.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.289 0.545 . . . . 2.94 110.872 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.23 9.4 6.31 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.683 -0.689 . . . . 2.14 111.774 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.4 m -82.36 158.27 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.287 -0.415 . . . . 1.22 110.29 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -93.85 98.21 10.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.517 0.675 . . . . 3.03 112.01 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.17 123.2 55.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.513 -0.767 . . . . 1.4 109.472 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -94.68 130.38 43.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.115 -0.493 . . . . 1.11 110.347 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' ' 50' ' ' THR . 40.1 m -110.78 105.88 14.88 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.874 -0.417 . . . . 1.05 109.874 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -98.5 111.12 23.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.888 0.375 . . . . 1.39 110.309 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 48' ' ' THR . 60.6 t -104.26 127.35 58.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 1.03 111.675 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.66 130.16 70.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.859 -0.793 . . . . 1.56 108.859 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 64.8 tt0 -90.01 121.81 32.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.153 0.501 . . . . 2.06 111.897 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -134.65 74.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.508 -0.769 . . . . 2.31 109.009 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.77 -101.88 1.15 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.657 -0.977 . . . . 0.42 110.657 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.51 10.9 12.77 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.942 -0.762 . . . . 0.51 108.942 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -106.44 111.7 24.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.875 -1.057 . . . . 1.36 109.715 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.2 135.67 51.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.052 0.453 . . . . 1.66 110.403 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 1.2 p -102.32 122.94 45.23 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.151 -0.477 . . . . 1.34 111.03 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -99.31 103.12 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.06 -0.718 . . . . 0.48 109.06 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.4 m -105.62 109.77 21.86 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.019 -0.537 . . . . 1.1 111.114 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.428 ' NE2' HG23 ' A' ' 38' ' ' THR . 9.4 mp0 -101.17 118.55 37.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.315 -0.402 . . . . 1.62 110.541 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -101.63 124.51 47.4 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.996 -0.547 . . . . 0.46 110.655 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.474 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 6.7 t80 -102.23 133.44 20.6 Favored Pre-proline 0 N--CA 1.443 -0.796 0 CA-C-N 115.95 -0.568 . . . . 2.11 109.577 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 48.3 Cg_endo -69.92 113.67 3.48 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.874 1.716 . . . . 0.51 111.392 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.42 28.67 73.87 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 121.263 -0.494 . . . . 0.52 113.514 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.22 -166.04 12.18 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.536 -0.84 . . . . 0.41 112.795 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 148.07 45.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.01 0.434 . . . . 3.97 111.212 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.5 t -97.81 155.93 16.82 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.372 -0.603 . . . . 1.07 109.372 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -132.99 108.14 8.71 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.721 -0.474 . . . . 1.11 109.721 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 m -122.61 120.47 33.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.274 -0.421 . . . . 1.04 111.478 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -125.03 131.91 53.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.326 -0.397 . . . . 2.22 110.17 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.3 p -107.45 123.42 48.38 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.35 -0.611 . . . . 1.32 109.35 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -134.76 144.44 47.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.571 0.7 . . . . 1.55 112.338 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.6 m -111.46 133.45 53.74 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.186 -0.915 . . . . 1.03 109.547 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.89 129.48 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.655 0.264 . . . . 1.05 110.963 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 t70 73.4 19.79 3.35 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.207 1.003 . . . . 1.1 110.2 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HE3' ' HG3' ' A' ' 68' ' ' GLU . 34.8 tptt -136.64 144.34 43.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.7 -0.682 . . . . 2.09 110.626 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' HG3' ' HE3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -69.84 146.32 51.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.171 -0.677 . . . . 2.55 109.171 177.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -137.64 149.4 46.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.905 0.383 . . . . 1.04 111.699 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.34 117.04 22.11 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.807 -1.183 . . . . 1.95 107.807 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.481 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 28.2 mtt -120.05 166.03 13.92 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.389 0.614 . . . . 1.01 112.196 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 3.1 tt0 -156.07 147.11 22.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.896 -1.047 . . . . 1.47 108.866 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.409 HG23 ' HB2' ' A' ' 77' ' ' ARG . 14.1 p -102.02 168.02 9.66 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 120.958 0.409 . . . . 1.03 109.913 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 43.4 mtt -68.66 -13.92 62.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.055 -0.521 . . . . 1.64 110.58 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.28 -12.1 71.04 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.798 -0.521 . . . . 0.48 111.798 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.91 52.3 1.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.146 -0.55 . . . . 0.48 112.853 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.56 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.5 mtp85 -114.06 120.69 41.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.204 -0.295 . . . . 1.1 110.204 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -93.25 121.65 34.84 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.539 -0.541 . . . . 2.27 109.539 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 42.3 p90 -161.9 177.22 10.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.114 0.483 . . . . 2.02 111.71 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -140.98 141.22 34.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.57 -0.741 . . . . 3.12 109.692 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.99 162.16 39.34 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.131 -0.486 . . . . 1.05 111.399 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -100.73 129.95 46.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 1.01 110.203 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.4 t -110.77 144.38 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.443 -0.344 . . . . 1.11 110.643 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -135.74 176.53 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.721 -0.474 . . . . 1.79 109.721 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 mtt -128.0 132.85 49.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.618 0.246 . . . . 1.02 111.123 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.14 81.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.314 -0.403 . . . . 2.67 110.685 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.93 55.13 14.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.165 -0.54 . . . . 0.6 113.134 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.43 22.33 77.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.899 -0.667 . . . . 0.42 112.555 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -130.84 111.97 12.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.465 -0.568 . . . . 2.39 109.465 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 mt -72.83 121.83 24.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 1.03 110.77 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.91 136.29 61.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.283 0.563 . . . . 1.08 110.38 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.44 133.06 56.46 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.661 -0.7 . . . . 1.03 110.363 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -91.7 122.61 34.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.436 0.636 . . . . 1.19 111.755 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.446 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 69.7 m-85 -140.32 156.67 69.7 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.097 -0.956 . . . . 2.2 109.961 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -67.15 111.7 2.32 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 121.773 1.649 . . . . 0.42 111.878 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.443 ' O ' ' HA ' ' A' ' 114' ' ' SER . 3.4 t-20 62.83 20.01 11.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.636 -0.711 . . . . 1.9 110.854 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.515 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.7 t80 -138.19 126.67 23.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 2.24 109.577 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.461 ' O ' ' HA ' ' A' ' 112' ' ' SER . 0.2 OUTLIER -124.2 110.37 14.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.662 -0.699 . . . . 1.37 110.122 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -106.68 120.15 41.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.613 -0.267 . . . . 0.92 110.421 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.7 p -129.11 132.32 47.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.591 -0.277 . . . . 1.03 110.742 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.42 128.2 50.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.412 -0.358 . . . . 1.09 110.96 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -146.37 172.27 13.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.055 0.455 . . . . 1.38 110.939 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.8 mm -111.47 110.74 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.294 -0.632 . . . . 1.13 109.294 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 72.7 m -119.05 105.05 11.04 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.716 -0.675 . . . . 1.86 110.408 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.06 30.71 58.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.951 -0.643 . . . . 0.96 112.288 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.39 15.55 79.76 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.58 -0.819 . . . . 0.62 112.446 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -125.8 144.95 50.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.588 0.194 . . . . 1.8 110.999 -179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.06 106.44 18.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.226 -0.657 . . . . 1.49 109.226 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -109.39 114.43 46.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.758 -0.655 . . . . 1.1 109.809 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.453 ' CD ' HH12 ' A' ' 121' ' ' ARG . 50.6 mt-10 -102.57 128.81 49.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.814 -0.63 . . . . 1.69 110.38 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.521 HG13 ' HG2' ' A' ' 120' ' ' LYS . 3.8 mp -108.92 133.65 53.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.658 -0.701 . . . . 1.14 110.271 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 50.9 m -127.6 110.73 12.99 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.605 -0.517 . . . . 0.6 109.605 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.515 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -98.6 131.85 44.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.429 -0.35 . . . . 1.03 110.486 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 56.3 m -148.06 114.75 6.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.924 0.392 . . . . 1.92 110.309 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m 59.23 27.5 16.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.302 -0.863 . . . . 1.17 111.862 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 101.76 -20.37 46.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.52 113.12 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.0 t -82.21 120.75 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.908 0.354 . . . . 1.24 110.341 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 51.8 t -98.11 107.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.042 -0.526 . . . . 1.61 110.856 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -92.79 123.19 35.89 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.691 -0.686 . . . . 2.13 110.123 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.521 ' HG2' HG13 ' A' ' 111' ' ' ILE . 23.1 mttt -121.38 141.16 51.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.863 0.363 . . . . 1.77 111.114 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.453 HH12 ' CD ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -147.52 117.7 7.32 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.206 0.526 . . . . 3.06 110.35 177.215 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 32.1 m -88.69 139.01 30.9 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.569 -0.742 . . . . 1.13 110.051 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.86 135.64 49.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.208 -0.451 . . . . 0.67 110.384 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 18.8 pttp -82.97 153.39 25.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.662 0.268 . . . . 2.01 110.968 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.409 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -94.85 127.6 40.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 2.1 110.975 -179.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.489 HG12 ' HZ1' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -145.19 167.27 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.644 -0.707 . . . . 1.13 109.31 179.254 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 CA-C-O 118.379 -0.82 . . . . 1.27 109.935 178.38 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 N--CA 1.462 0.137 0 N-CA-C 112.15 0.426 . . . . 2.16 112.15 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.49 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.3 m -67.81 138.82 56.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.113 0.412 . . . . 1.02 112.113 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.82 169.19 11.87 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.705 -0.76 . . . . 0.24 112.173 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -95.22 142.84 27.17 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.003 -0.74 . . . . 2.15 109.003 178.49 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.589 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 91.4 m-85 -125.75 139.47 53.49 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.426 -0.352 . . . . 2.2 111.061 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -122.81 147.88 46.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.318 -0.401 . . . . 1.41 110.55 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.43 ' HB3' ' HA ' ' A' ' 35' ' ' LYS . 19.9 t80 -48.69 124.52 8.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.307 -0.86 . . . . 2.7 111.421 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -124.41 -51.54 1.74 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.468 -0.787 . . . . 1.46 109.902 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.4 ' HB2' ' HB ' ' A' ' 122' ' ' THR . 20.2 m -145.53 152.98 40.6 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.736 -0.666 . . . . 1.28 109.805 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -146.77 156.99 43.56 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.45 -0.574 . . . . 1.72 109.45 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -154.21 141.56 19.63 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.272 0.471 . . . . 1.44 112.272 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.66 35.99 6.66 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.03 -0.986 . . . . 1.16 112.186 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -69.81 -56.52 6.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.96 -0.564 . . . . 2.27 111.245 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.441 ' HA ' HG21 ' A' ' 18' ' ' VAL . 2.0 m-20 -60.45 -41.12 93.43 Favored 'General case' 0 CA--C 1.517 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.3 112.072 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -38.69 92.14 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.201 0.524 . . . . 1.46 110.425 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.447 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 61.5 t80 -69.6 -52.16 28.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.358 -0.837 . . . . 2.15 110.897 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.441 HG21 ' HA ' ' A' ' 15' ' ' ASP . 32.0 m -64.05 -39.42 85.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.0 -0.545 . . . . 1.08 111.597 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -67.27 -26.0 66.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.9 0.381 . . . . 1.67 110.578 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -80.77 -47.77 13.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.253 -0.43 . . . . 1.53 111.768 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.4 pt -73.93 -5.73 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 111.786 0.291 . . . . 1.06 111.786 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.73 35.18 46.68 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.844 -0.693 . . . . 0.42 113.168 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 tp -68.99 133.43 90.0 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.404 -0.591 . . . . 1.11 109.404 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -64.17 142.14 78.99 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.35 2.033 . . . . 0.4 111.529 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.04 63.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 1.12 111.205 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -53.94 -42.57 68.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.195 -0.911 . . . . 2.03 111.317 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -88.08 -33.13 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.903 -0.319 . . . . 1.47 110.825 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.0 mt -57.06 -55.23 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.072 0.463 . . . . 1.13 110.828 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.502 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 52.0 mm-40 -68.28 -28.76 67.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.69 -0.686 . . . . 1.73 111.839 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.456 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.7 tpt -76.87 -28.76 55.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.12 -0.491 . . . . 1.63 111.426 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.03 23.57 20.92 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.204 -0.998 . . . . 0.51 113.975 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.502 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.2 ptp180 -110.87 135.36 51.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.685 0.743 . . . . 2.94 110.417 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 65.67 16.85 10.68 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.796 -0.638 . . . . 2.14 110.716 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.7 m -91.48 154.2 19.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.066 -0.515 . . . . 1.22 110.914 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -93.38 91.79 7.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.235 0.54 . . . . 3.03 111.761 -179.465 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 mp -90.31 136.16 24.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.819 -0.628 . . . . 1.4 109.412 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -104.95 132.41 51.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.681 -0.236 . . . . 1.11 110.905 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.755 ' HA ' ' O ' ' A' ' 50' ' ' THR . 73.4 m -115.25 110.19 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.441 -0.345 . . . . 1.05 110.285 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' A' ' 5' ' ' LYS . 51.9 mt-10 -101.44 117.41 34.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.882 0.372 . . . . 1.39 110.096 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 48' ' ' THR . 96.6 t -108.65 127.04 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.53 -0.759 . . . . 1.03 112.495 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.1 t -113.98 126.55 71.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.71 -0.848 . . . . 1.56 108.71 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.49 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 24.6 tt0 -89.39 102.91 15.58 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.268 0.47 . . . . 2.06 112.268 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 70.7 m-20 -109.58 72.4 0.8 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.303 -0.628 . . . . 2.31 109.303 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.04 -101.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 111.14 -0.784 . . . . 0.42 111.14 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.29 5.22 23.46 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.206 -0.664 . . . . 0.51 109.206 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 15.4 t70 -105.47 111.28 23.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.274 -0.875 . . . . 1.36 110.35 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -107.34 133.25 52.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.041 -0.527 . . . . 1.66 109.969 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 61.9 p -95.95 134.68 38.67 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.922 0.391 . . . . 1.34 110.923 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -114.61 102.59 10.18 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.865 -0.791 . . . . 0.48 108.865 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.755 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.9 m -104.96 120.12 40.68 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.117 -0.492 . . . . 1.1 110.395 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -107.53 116.82 32.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.203 -0.295 . . . . 1.62 110.203 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -105.86 135.57 47.06 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.79 -0.448 . . . . 0.46 109.79 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.464 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 8.3 t80 -109.37 131.67 21.73 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 116.297 -0.41 . . . . 2.11 110.617 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.0 Cg_endo -63.13 114.27 2.39 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.31 2.007 . . . . 0.51 111.295 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.69 24.56 72.72 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.86 -0.686 . . . . 0.52 113.04 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.84 -171.7 16.37 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.101 -1.047 . . . . 0.41 113.484 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.23 147.91 46.42 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.536 0.569 . . . . 3.97 112.536 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 t -104.17 160.21 15.05 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.802 -0.814 . . . . 1.07 108.802 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.16 128.72 24.46 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.509 -0.314 . . . . 1.11 110.294 -178.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 m -135.19 127.59 30.42 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.459 -0.496 . . . . 1.04 112.256 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -139.94 141.38 36.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.443 -0.577 . . . . 2.22 109.443 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.7 p -118.15 126.07 51.49 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.201 -0.666 . . . . 1.32 109.201 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -122.81 147.02 47.01 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.312 0.577 . . . . 1.55 111.703 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 65.8 m -111.76 125.74 54.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.268 -0.878 . . . . 1.03 109.599 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.0 mm -53.27 128.28 12.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.648 0.261 . . . . 1.05 110.835 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.5 t70 73.89 18.48 3.31 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.289 -0.869 . . . . 1.1 110.22 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 40.7 tptt -137.86 150.51 47.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.214 -0.903 . . . . 2.09 110.021 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -77.35 151.02 35.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.959 -0.756 . . . . 2.55 108.959 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 80' ' ' LYS . . . -137.42 152.64 49.83 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.025 0.379 . . . . 1.04 112.025 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.57 113.6 21.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.276 -0.875 . . . . 1.95 109.0 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.591 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.4 mtt -120.41 168.74 10.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.486 0.66 . . . . 1.01 112.606 -178.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.713 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.4 tt0 -154.75 140.23 17.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.043 -0.981 . . . . 1.47 109.095 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 p -95.0 169.95 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.97 0.414 . . . . 1.03 110.403 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.4 mtt -66.91 -13.24 61.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 1.64 110.143 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.02 -7.54 73.77 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.781 -0.645 . . . . 0.48 111.675 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.93 53.68 2.64 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.095 -0.574 . . . . 0.48 111.943 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.713 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 10.6 mtp180 -118.12 123.82 46.51 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.302 -0.159 . . . . 1.1 111.057 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -96.55 122.3 39.31 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.445 -0.576 . . . . 2.27 109.445 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 45.2 p90 -155.43 168.87 25.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.045 0.45 . . . . 2.02 111.345 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 69' ' ' ALA . 2.1 mtpp -132.62 136.85 46.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.711 -0.677 . . . . 3.12 109.29 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -143.94 160.41 40.88 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.282 -0.417 . . . . 1.05 111.438 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -97.45 131.13 44.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.875 -0.602 . . . . 1.01 109.752 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.0 t -115.04 142.96 25.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.973 -0.38 . . . . 1.11 109.973 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.414 ' CG ' HG11 ' A' ' 91' ' ' VAL . 21.7 pttt -133.99 175.75 9.19 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.065 -0.346 . . . . 1.79 110.065 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mtt -127.73 118.08 23.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.579 -0.526 . . . . 1.02 109.579 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.2 104.4 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.403 -0.362 . . . . 2.67 110.772 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.35 37.42 47.81 Favored Glycine 0 CA--C 1.516 0.105 0 C-N-CA 121.219 -0.515 . . . . 0.6 112.475 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.25 27.8 71.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.504 -0.855 . . . . 0.42 111.774 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -131.07 127.12 37.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.151 -0.314 . . . . 2.39 110.151 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.3 mt -80.38 110.15 15.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.719 -0.474 . . . . 1.03 109.719 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.414 HG11 ' CG ' ' A' ' 84' ' ' LYS . 3.2 p -115.98 134.96 57.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.196 0.522 . . . . 1.08 111.003 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.88 142.89 45.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.711 -0.677 . . . . 1.03 110.421 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -102.76 123.63 46.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.173 0.511 . . . . 1.19 111.709 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.471 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 80.3 m-85 -138.88 157.2 72.07 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.144 -0.935 . . . . 2.2 109.66 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.37 112.54 2.38 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 121.554 1.503 . . . . 0.42 111.259 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 114' ' ' SER . 61.6 t30 65.52 12.01 7.86 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.021 -0.536 . . . . 1.9 111.356 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.7 t80 -134.3 123.02 23.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.437 -0.579 . . . . 2.24 109.437 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.7 t60 -121.01 117.13 26.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.8 -0.636 . . . . 1.37 109.34 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -112.24 128.42 56.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.684 -0.235 . . . . 0.92 110.823 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.0 p -134.83 130.3 35.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.391 -0.368 . . . . 1.03 110.368 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.83 136.59 53.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.463 -0.335 . . . . 1.09 110.328 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -154.52 175.25 13.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.942 0.401 . . . . 1.38 110.841 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 32.6 mm -117.55 116.99 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 1.13 109.607 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.8 m -128.96 108.01 10.07 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.994 -0.548 . . . . 1.86 110.546 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.9 28.83 55.95 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.792 -0.64 . . . . 0.96 112.042 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.45 22.15 73.59 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.856 -0.688 . . . . 0.62 112.284 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -133.62 151.02 51.6 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.005 0.431 . . . . 1.8 110.409 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.465 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.6 tm? -89.96 121.16 31.8 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.163 -0.926 . . . . 1.49 109.841 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.3 p -122.66 122.05 65.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.075 0.464 . . . . 1.1 109.981 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -108.25 134.45 51.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 1.69 110.12 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.11 130.45 72.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.738 -0.664 . . . . 1.14 109.94 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 15.1 m -126.44 115.49 19.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.101 -0.499 . . . . 0.6 110.406 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -101.24 130.06 47.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.249 -0.432 . . . . 1.03 110.844 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 73.2 m -145.71 114.68 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.788 -0.449 . . . . 1.92 109.788 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 m 59.5 25.84 14.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.661 -0.699 . . . . 1.17 111.475 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 99.18 -10.45 61.7 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.554 -0.831 . . . . 0.52 112.685 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 113' ' ' THR . 57.8 t -86.02 116.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.828 0.314 . . . . 1.24 110.402 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 92.6 t -94.87 105.21 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.252 -0.431 . . . . 1.61 110.618 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -94.71 131.06 40.94 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.708 -0.678 . . . . 2.13 109.215 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -130.02 146.84 51.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.933 0.397 . . . . 1.77 111.905 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 14.1 ptt-85 -144.98 136.94 25.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.532 -0.758 . . . . 3.06 109.917 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.4 ' HB ' ' HB2' ' A' ' 10' ' ' SER . 58.2 m -114.07 121.37 43.61 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.778 -0.646 . . . . 1.13 110.332 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.427 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 18.5 m -118.46 132.24 56.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.975 0.417 . . . . 0.67 110.515 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 18.4 pttm -76.49 159.04 30.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 2.01 110.44 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.18 129.11 46.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 2.1 111.494 -178.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.446 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -146.43 167.51 7.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.321 -0.854 . . . . 1.13 109.099 179.117 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.098 -0.953 . . . . 1.27 109.484 178.751 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 CA--C 1.528 0.115 0 N-CA-C 111.914 0.338 . . . . 2.16 111.914 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -61.47 140.79 58.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.513 0.56 . . . . 1.02 112.513 -178.839 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 135.5 164.65 10.45 Favored Glycine 0 N--CA 1.438 -1.205 0 C-N-CA 120.533 -0.841 . . . . 0.24 112.932 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 140.41 29.75 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.125 -1.065 . . . . 2.15 108.125 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.646 ' CE2' ' HG2' ' A' ' 125' ' ' LYS . 88.7 m-85 -126.52 147.17 49.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.681 0.277 . . . . 2.2 111.156 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -130.75 152.81 49.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.447 -0.342 . . . . 1.41 110.111 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 6.9 t80 -47.54 116.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.111 0.882 . . . . 2.7 111.816 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -114.77 -40.53 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 1.46 110.407 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.55 169.48 24.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.374 -0.376 . . . . 1.28 111.06 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -156.89 152.47 26.8 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.065 -0.516 . . . . 1.72 110.03 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -148.38 136.78 21.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.003 -0.544 . . . . 1.44 109.772 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 63.54 34.57 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.996 0.81 . . . . 1.16 111.068 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -63.36 -59.25 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 2.27 111.825 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.435 ' HA ' HG22 ' A' ' 18' ' ' VAL . 25.8 m-20 -60.4 -38.6 84.49 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.328 -0.396 . . . . 1.3 111.565 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -40.81 97.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 1.46 110.137 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.478 ' O ' HG12 ' A' ' 21' ' ' ILE . 57.5 t80 -66.19 -53.07 41.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.612 -0.722 . . . . 2.15 111.053 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.3 m -62.23 -37.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.973 -0.558 . . . . 1.08 111.778 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.494 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER -74.45 -26.99 60.39 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.775 -0.37 . . . . 1.67 111.585 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -76.56 -44.57 34.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.385 -0.371 . . . . 1.53 111.217 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.4 pt -76.19 -13.27 14.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.399 -0.364 . . . . 1.06 111.483 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.62 32.42 30.49 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.95 -0.643 . . . . 0.42 112.892 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -67.37 134.66 93.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.591 -0.522 . . . . 1.11 109.591 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.431 ' O ' HG13 ' A' ' 28' ' ' ILE . 27.5 Cg_endo -63.61 139.04 67.72 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.052 1.835 . . . . 0.4 111.528 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.99 -37.48 64.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.926 -0.579 . . . . 1.12 111.485 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 30' ' ' MET . 18.5 t70 -56.94 -40.32 76.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.713 -0.676 . . . . 2.03 111.154 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -87.48 -30.0 20.96 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.474 -0.33 . . . . 1.47 110.441 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 24' ' ' PRO . 61.8 mt -60.19 -54.95 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 1.13 109.886 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 43.0 mm-40 -65.31 -33.94 77.15 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.139 -0.937 . . . . 1.73 110.103 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.527 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.3 tpt -65.42 -40.04 92.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.196 -0.911 . . . . 1.63 111.371 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.5 25.68 22.31 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 115.419 0.927 . . . . 0.51 115.419 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.45 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.9 ptp180 -104.79 128.6 52.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 118.141 0.971 . . . . 2.94 111.05 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.17 21.5 12.57 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.301 -0.863 . . . . 2.14 110.814 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.1 m -89.96 141.64 28.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.782 -0.645 . . . . 1.22 110.101 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HG2' ' HG3' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -72.64 85.62 1.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.176 0.512 . . . . 3.03 111.894 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mm -83.27 126.31 40.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.777 -0.647 . . . . 1.4 109.972 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 2.8 t -98.0 130.56 46.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.777 -0.453 . . . . 1.11 109.777 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.749 ' HA ' ' O ' ' A' ' 50' ' ' THR . 24.8 m -118.86 104.82 10.9 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 123.487 0.492 . . . . 1.05 110.024 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -94.22 113.98 26.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.15 -0.315 . . . . 1.39 110.15 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 48' ' ' THR . 60.2 t -107.46 121.92 61.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.543 -0.753 . . . . 1.03 111.985 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.64 134.36 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.433 -0.951 . . . . 1.56 108.433 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.492 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 6.3 tt0 -99.72 112.36 24.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.216 0.531 . . . . 2.06 111.128 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -126.79 78.86 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.731 -0.668 . . . . 2.31 109.891 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.36 -90.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.534 -0.626 . . . . 0.42 111.534 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.75 12.39 5.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.375 0.607 . . . . 0.51 109.885 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 36.7 t70 -106.08 110.91 23.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.095 -0.957 . . . . 1.36 109.61 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -106.67 134.17 50.22 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.056 0.455 . . . . 1.66 110.086 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 43.3 p -95.81 135.3 37.7 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.904 -0.589 . . . . 1.34 111.03 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -115.99 100.95 8.33 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.821 -0.807 . . . . 0.48 108.821 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.749 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.1 m -105.89 117.89 35.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.56 -0.746 . . . . 1.1 110.067 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -105.62 116.76 32.49 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.945 -0.391 . . . . 1.62 109.945 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.485 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 83.2 m-70 -106.56 123.45 48.12 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.034 0.445 . . . . 0.46 109.891 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.527 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 5.9 t80 -99.39 124.73 43.66 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 115.355 -0.838 . . . . 2.11 110.748 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 28.0 Cg_endo -61.77 115.27 2.69 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.464 2.11 . . . . 0.51 112.188 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.89 22.77 75.82 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.742 -0.663 . . . . 0.52 113.126 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.14 -165.69 11.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.155 -1.021 . . . . 0.41 113.303 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.32 147.21 49.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.061 0.458 . . . . 3.97 111.9 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.1 t -102.54 157.31 17.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.008 -0.542 . . . . 1.07 109.771 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.05 132.42 38.21 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.741 -0.466 . . . . 1.11 109.741 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -141.27 138.42 33.21 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.016 -0.427 . . . . 1.04 111.823 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -150.33 156.53 41.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 2.22 109.373 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.7 p -130.83 132.26 45.11 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.55 -0.537 . . . . 1.32 109.55 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -132.52 138.53 47.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.515 0.674 . . . . 1.55 112.321 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.482 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 57.5 m -104.82 130.47 52.93 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.167 -0.924 . . . . 1.03 108.806 178.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mm -56.11 125.98 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.445 -0.343 . . . . 1.05 111.121 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t0 74.52 22.39 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.117 0.886 . . . . 1.1 109.944 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 42.9 tptt -138.22 136.87 36.99 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.425 -0.807 . . . . 2.09 110.675 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -66.95 138.05 56.98 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.48 -0.563 . . . . 2.55 109.48 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.07 154.4 47.49 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.711 0.634 . . . . 1.04 112.711 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.29 118.11 26.5 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.12 -0.945 . . . . 1.95 108.606 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.584 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 10.3 mtt -123.14 169.6 11.06 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.483 0.658 . . . . 1.01 111.892 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.682 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 22.6 tt0 -153.67 138.48 17.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.704 -1.135 . . . . 1.47 108.802 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 77' ' ' ARG . 32.3 p -89.65 171.24 9.81 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.362 -0.607 . . . . 1.03 109.362 178.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.4 ttm -76.68 -3.78 39.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.032 0.444 . . . . 1.64 110.27 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.34 -6.7 62.62 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.849 -0.9 . . . . 0.48 110.849 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.97 26.97 9.83 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.891 -0.671 . . . . 0.48 113.297 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.682 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 15.4 mtp180 -97.05 120.63 37.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.291 0.546 . . . . 1.1 110.963 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.92 129.46 46.78 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.704 -0.85 . . . . 2.27 108.704 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 35.3 p90 -158.66 176.79 11.94 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.911 0.337 . . . . 2.02 111.911 -177.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.26 137.65 50.11 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.427 -0.583 . . . . 3.12 109.427 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.6 161.65 42.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.567 -0.288 . . . . 1.05 110.935 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.76 140.42 33.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.933 0.397 . . . . 1.01 110.657 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.57 135.18 64.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.435 . . . . 1.11 109.841 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -127.52 177.62 6.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.844 -0.428 . . . . 1.79 109.844 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.7 mtt -129.07 141.29 51.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.692 0.282 . . . . 1.02 110.757 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.48 104.08 6.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.856 -0.611 . . . . 2.67 110.585 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.14 34.95 90.72 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.176 -0.535 . . . . 0.6 113.311 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.43 15.11 66.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.594 -0.812 . . . . 0.42 112.54 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.43 ' HD2' ' CD ' ' A' ' 102' ' ' GLU . 2.8 mtmp? -120.52 125.2 47.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.961 -0.755 . . . . 2.39 108.961 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.544 ' O ' ' HA ' ' A' ' 100' ' ' THR . 2.3 mt -80.14 119.77 30.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 116.108 -0.496 . . . . 1.03 111.55 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.6 p -120.33 129.2 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.285 0.564 . . . . 1.08 110.951 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.59 141.67 36.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.795 -0.639 . . . . 1.03 110.219 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -96.94 122.58 40.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.073 0.463 . . . . 1.19 111.488 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.495 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 71.1 m-85 -146.11 155.05 51.0 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.3 -0.864 . . . . 2.2 109.721 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -66.94 111.56 2.23 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.017 1.811 . . . . 0.42 111.401 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.681 ' O ' ' HA ' ' A' ' 114' ' ' SER . 3.0 t-20 63.04 11.28 5.05 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.922 -0.581 . . . . 1.9 111.866 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.55 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.2 t80 -125.9 127.42 45.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.95 -0.759 . . . . 2.24 108.95 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.3 t60 -126.57 109.45 12.14 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.921 -0.581 . . . . 1.37 109.892 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -105.32 119.1 38.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.492 -0.322 . . . . 0.92 110.367 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.544 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 26.5 p -126.11 129.65 49.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.433 -0.348 . . . . 1.03 110.646 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.68 135.65 54.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.123 -0.49 . . . . 1.09 110.282 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.43 ' CD ' ' HD2' ' A' ' 89' ' ' LYS . 2.8 pt-20 -151.92 171.18 18.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.952 0.406 . . . . 1.38 110.763 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.5 mm -108.43 122.7 63.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.379 -0.828 . . . . 1.13 109.179 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.3 m -136.0 99.63 4.2 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.199 0.523 . . . . 1.86 110.351 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.39 35.88 40.85 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.523 -0.762 . . . . 0.96 111.68 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.37 30.21 71.49 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.251 -0.739 . . . . 0.62 111.251 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -135.08 146.79 49.25 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.758 0.314 . . . . 1.8 110.713 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.455 HD22 ' CZ ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -92.37 113.71 26.06 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.054 -0.721 . . . . 1.49 109.054 179.211 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 p -113.99 112.37 39.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.45 -0.574 . . . . 1.1 109.45 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -103.04 131.96 49.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.593 -0.731 . . . . 1.69 110.735 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.455 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.6 mp -115.36 127.39 72.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.445 -0.798 . . . . 1.14 109.276 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 13.4 m -125.2 106.1 9.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.262 -0.427 . . . . 0.6 110.553 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.55 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -94.13 137.07 33.74 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.149 -0.478 . . . . 1.03 110.33 179.475 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.681 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 60.3 p -150.15 113.48 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.27 0.356 . . . . 1.92 110.821 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.1 m 54.87 34.0 21.12 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.649 -0.705 . . . . 1.17 112.362 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.43 -31.7 8.34 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.73 -0.748 . . . . 0.52 113.214 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.01 126.34 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.85 0.325 . . . . 1.24 110.417 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 118' ' ' VAL . 4.2 p -108.51 107.38 22.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.569 0.699 . . . . 1.61 111.164 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 30.9 t80 -89.1 135.85 33.34 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.487 -0.779 . . . . 2.13 109.842 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.455 ' HG2' HG13 ' A' ' 111' ' ' ILE . 15.5 mtpt -133.03 139.69 47.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.523 -0.308 . . . . 1.77 110.762 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.31 130.89 17.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.119 0.485 . . . . 3.06 110.569 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.7 m -106.01 134.95 48.32 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.703 -0.681 . . . . 1.13 109.76 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.2 m -124.62 137.68 54.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.002 0.43 . . . . 0.67 110.702 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 64.8 pttt -78.26 155.63 30.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.728 -0.669 . . . . 2.01 110.777 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.646 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 123.1 43.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.187 0.518 . . . . 2.1 110.393 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.551 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -141.11 168.84 15.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.547 -0.751 . . . . 1.13 109.163 179.176 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.254 -0.879 . . . . 1.27 109.531 178.253 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 . . . . . 0 CA--C 1.527 0.064 0 N-CA-C 111.466 0.172 . . . . 2.16 111.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.487 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.6 m -60.56 144.58 51.25 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.061 0.458 . . . . 1.02 111.916 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.476 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 128.89 175.71 14.16 Favored Glycine 0 N--CA 1.438 -1.191 0 C-N-CA 120.724 -0.75 . . . . 0.24 112.045 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -99.95 142.26 31.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.858 -0.793 . . . . 2.15 108.858 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.537 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 98.5 m-85 -123.96 150.36 44.86 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.136 -0.32 . . . . 2.2 110.136 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.52 147.62 51.61 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.343 0.402 . . . . 1.41 110.347 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 3.4 t80 -51.58 114.84 1.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.061 0.85 . . . . 2.7 110.743 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -105.46 -53.36 2.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.978 0.418 . . . . 1.46 110.402 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m -154.53 160.6 41.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.13 -0.486 . . . . 1.28 110.83 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 14' ' ' TYR . 3.9 p-10 -147.24 149.59 33.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.154 0.502 . . . . 1.72 110.846 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -136.01 142.65 44.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.973 -0.558 . . . . 1.44 110.474 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.04 37.61 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.199 -0.91 . . . . 1.16 111.641 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.491 ' HB2' ' OD2' ' A' ' 11' ' ' ASP . 63.0 t80 -64.42 -61.71 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.712 -0.222 . . . . 2.27 111.337 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.03 -36.65 70.71 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.933 0.397 . . . . 1.3 110.806 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.96 -46.23 78.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.903 -0.59 . . . . 1.46 110.578 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.491 ' O ' HG12 ' A' ' 21' ' ' ILE . 48.7 t80 -64.93 -52.97 53.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.003 -0.544 . . . . 2.15 111.518 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.47 -35.24 65.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.24 0.459 . . . . 1.08 112.24 -178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.62 -25.23 49.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.932 0.396 . . . . 1.67 110.619 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -78.49 -45.1 22.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.843 -0.617 . . . . 1.53 111.671 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 17' ' ' PHE . 39.2 pt -75.11 -17.62 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.455 -0.339 . . . . 1.06 111.547 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.75 29.33 16.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.264 -0.97 . . . . 0.42 112.686 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.496 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 26.4 tp -64.71 137.37 97.12 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.554 -0.536 . . . . 1.11 109.554 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.496 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 26.6 Cg_endo -63.14 136.22 54.94 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.248 1.965 . . . . 0.4 111.976 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.04 -39.09 65.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.661 -0.7 . . . . 1.12 111.427 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.3 -45.97 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.09 -0.959 . . . . 2.03 111.791 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -87.99 -23.13 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.871 -0.332 . . . . 1.47 111.679 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 HG23 ' A' ' 28' ' ' ILE . 19.5 mt -59.4 -57.07 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 123.258 0.349 . . . . 1.13 111.263 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 25.9 mt-10 -72.84 -31.2 64.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.076 -0.511 . . . . 1.73 110.845 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.407 ' HE1' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -69.68 -29.48 66.93 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.976 -0.556 . . . . 1.63 111.189 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.42 ' C ' ' HG ' ' A' ' 34' ' ' CYS . . . -111.04 27.26 11.09 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.859 -0.686 . . . . 0.51 112.827 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 31.3 ptt180 -105.78 135.38 47.31 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.24 -0.282 . . . . 2.94 110.24 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.27 22.44 12.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.813 -0.63 . . . . 2.14 110.709 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.451 ' SG ' HD11 ' A' ' 36' ' ' ILE . 25.6 p -89.67 160.9 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.685 -0.688 . . . . 1.22 110.562 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.91 98.84 11.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.386 0.613 . . . . 3.03 111.862 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.451 HD11 ' SG ' ' A' ' 34' ' ' CYS . 24.6 mm -95.46 124.97 48.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.809 -0.632 . . . . 1.4 110.43 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.6 t -99.5 129.87 49.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.808 -0.441 . . . . 1.11 109.808 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.748 ' HA ' ' O ' ' A' ' 50' ' ' THR . 7.4 m -114.53 108.76 17.28 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.422 -0.354 . . . . 1.05 110.451 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -96.62 117.19 30.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 110.012 -0.366 . . . . 1.39 110.012 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.573 ' HA ' ' O ' ' A' ' 48' ' ' THR . 78.0 t -112.0 122.41 66.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 1.03 110.85 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.457 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 94.4 t -110.08 132.31 58.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.155 -0.683 . . . . 1.56 109.155 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.487 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 4.3 tp-100 -82.42 116.01 21.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.136 0.421 . . . . 2.06 112.136 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 84.9 m-20 -129.45 70.13 1.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.976 -0.556 . . . . 2.31 109.732 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.04 -92.41 0.14 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.006 -0.616 . . . . 0.42 111.817 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.56 0.23 10.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.236 0.541 . . . . 0.51 109.711 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 29.7 t70 -100.89 108.49 20.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.696 -0.684 . . . . 1.36 109.908 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -103.28 130.05 50.43 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.096 -0.502 . . . . 1.66 109.709 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.9 OUTLIER -92.28 125.33 36.9 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.924 -0.58 . . . . 1.34 110.214 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -110.31 103.13 11.76 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.478 -0.564 . . . . 0.48 109.478 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.748 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.9 m -103.85 132.61 49.94 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.198 -0.455 . . . . 1.1 110.813 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -115.74 115.91 27.15 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.336 -0.616 . . . . 1.62 109.336 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -103.77 126.06 50.65 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.077 0.465 . . . . 0.46 110.965 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 3.0 t80 -105.57 125.61 32.93 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 115.325 -0.852 . . . . 2.11 109.256 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.584 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.9 Cg_endo -61.94 112.85 1.63 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.345 2.03 . . . . 0.51 111.775 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.88 29.95 76.69 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.919 -0.582 . . . . 0.52 112.478 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.31 -166.74 12.67 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.022 -1.085 . . . . 0.41 113.826 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.89 152.53 31.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.615 -0.793 . . . . 3.97 111.218 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.2 t -119.53 158.13 26.93 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 120.8 0.333 . . . . 1.07 110.12 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.5 m -139.19 128.93 24.72 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.19 -0.459 . . . . 1.11 110.128 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 m -133.61 118.97 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.774 0.321 . . . . 1.04 111.466 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -122.4 146.07 47.7 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.202 0.525 . . . . 2.22 110.777 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 p -126.15 121.04 31.71 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.603 -0.726 . . . . 1.32 109.181 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 46' ' ' ASP . 53.6 p90 -129.34 142.75 50.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.167 0.508 . . . . 1.55 111.693 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 76.2 m -108.45 127.39 53.87 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.369 -0.832 . . . . 1.03 108.967 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.8 mm -55.0 126.57 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.646 0.26 . . . . 1.05 110.985 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t0 75.11 22.56 1.75 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.199 0.937 . . . . 1.1 110.616 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.6 tptt -136.61 144.13 43.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.518 -0.765 . . . . 2.09 110.676 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.8 125.53 27.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.771 -0.826 . . . . 2.55 108.771 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.93 163.59 16.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.197 0.522 . . . . 1.04 112.332 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.462 ' CG ' ' HZ3' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -96.28 122.18 38.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.924 -1.034 . . . . 1.95 108.561 178.576 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.541 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 11.3 mtt -126.31 167.45 15.47 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.515 0.674 . . . . 1.01 112.592 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.679 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 52.4 tt0 -156.39 141.08 16.96 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.467 -1.242 . . . . 1.47 108.705 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.426 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 22.6 p -87.46 -176.71 5.7 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.385 -0.598 . . . . 1.03 109.385 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.5 mtp -83.3 -3.88 57.89 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.995 -0.743 . . . . 1.64 108.995 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.8 -7.05 63.2 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 111.233 -0.747 . . . . 0.48 111.233 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.86 29.06 12.28 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.216 -0.516 . . . . 0.48 112.844 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.679 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 29.0 mtp180 -93.57 122.99 36.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.65 0.225 . . . . 1.1 110.792 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -98.75 124.17 43.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.79 0.328 . . . . 2.27 110.441 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 39.3 p90 -155.29 173.35 16.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 2.02 111.216 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.462 ' HZ3' ' CG ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -130.72 143.74 50.96 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.32 -0.622 . . . . 3.12 109.32 179.165 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.497 ' HB2' ' SD ' ' A' ' 71' ' ' MET . . . -155.38 162.09 40.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.686 0.279 . . . . 1.05 110.711 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.43 129.84 50.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.929 -0.397 . . . . 1.01 109.929 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.53 144.9 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.534 -0.303 . . . . 1.11 110.615 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.411 ' CG ' HG13 ' A' ' 91' ' ' VAL . 6.8 pttt -134.41 -179.23 5.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.156 -0.313 . . . . 1.79 110.156 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 mtt -131.03 130.53 43.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.716 -0.22 . . . . 1.02 110.695 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -121.32 93.15 3.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.403 -0.362 . . . . 2.67 110.617 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.37 50.08 65.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.983 -0.627 . . . . 0.6 113.107 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.63 17.75 78.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.858 -0.687 . . . . 0.42 113.209 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -122.84 119.51 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.866 -0.42 . . . . 2.39 109.866 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.4 HG23 ' CE1' ' A' ' 63' ' ' PHE . 1.8 mt -78.64 107.79 11.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.769 -0.456 . . . . 1.03 109.769 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.411 HG13 ' CG ' ' A' ' 84' ' ' LYS . 2.5 p -113.13 135.05 53.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.223 0.535 . . . . 1.08 110.997 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.45 145.41 44.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.705 -0.68 . . . . 1.03 109.772 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -103.08 124.05 47.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.385 . . . . 1.19 111.858 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 97' ' ' TYR . 89.4 m-85 -140.77 155.62 69.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.4 -0.818 . . . . 2.2 110.406 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.61 115.8 4.41 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.375 2.05 . . . . 0.42 111.831 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 114' ' ' SER . 56.1 t30 68.17 9.04 6.95 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.565 0.698 . . . . 1.9 110.806 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.1 t80 -136.39 125.62 24.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.92 -0.582 . . . . 2.24 109.803 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.556 ' O ' ' HA ' ' A' ' 112' ' ' SER . 10.0 t60 -121.11 123.48 42.43 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.816 -0.809 . . . . 1.37 108.816 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -123.56 119.27 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.972 0.415 . . . . 0.92 111.134 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.0 p -127.95 128.57 45.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.884 -0.598 . . . . 1.03 110.864 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.63 130.02 56.18 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.361 -0.607 . . . . 1.09 109.361 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -153.17 172.84 16.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.084 0.469 . . . . 1.38 111.25 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.9 mm -109.63 122.24 63.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.151 -0.931 . . . . 1.13 109.613 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.6 m -137.27 113.83 10.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.233 -0.44 . . . . 1.86 110.024 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.27 28.12 64.63 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.052 -0.819 . . . . 0.96 111.052 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.74 25.76 73.14 Favored Glycine 0 C--N 1.332 0.338 0 N-CA-C 111.655 -0.578 . . . . 0.62 111.655 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -135.69 153.36 51.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.888 0.375 . . . . 1.8 111.24 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.451 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 1.4 tm? -91.14 118.15 30.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.605 -0.725 . . . . 1.49 109.083 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.8 115.37 46.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.2 0.524 . . . . 1.1 110.395 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.408 ' HG3' ' CD1' ' A' ' 108' ' ' LEU . 62.6 mt-10 -101.57 125.54 48.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.891 -0.595 . . . . 1.69 109.922 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.405 HG13 ' HG2' ' A' ' 120' ' ' LYS . 5.1 mp -109.62 127.59 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.605 -0.725 . . . . 1.14 109.379 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.556 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 9.7 m -125.17 115.09 19.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.949 -0.569 . . . . 0.6 110.239 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.529 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -102.16 130.47 48.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.652 -0.249 . . . . 1.03 110.622 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 45.0 m -146.99 113.29 5.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 1.92 110.495 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.3 m 55.3 38.23 30.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.345 -0.843 . . . . 1.17 112.646 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.81 -22.34 39.82 Favored Glycine 0 C--N 1.328 0.134 0 C-N-CA 120.621 -0.799 . . . . 0.52 113.807 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.1 t -85.26 120.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.299 0.55 . . . . 1.24 110.727 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.48 105.92 18.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.594 -0.73 . . . . 1.61 111.045 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -90.93 130.54 36.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.393 -0.821 . . . . 2.13 109.133 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.405 ' HG2' HG13 ' A' ' 111' ' ' ILE . 17.5 mtpt -130.81 124.37 31.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.087 0.47 . . . . 1.77 111.593 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -124.76 127.7 47.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.729 -0.669 . . . . 3.06 110.416 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.0 m -105.21 132.9 50.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.774 -0.648 . . . . 1.13 109.852 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -128.24 137.66 52.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.351 -0.386 . . . . 0.67 110.515 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 16.0 pttm -83.16 158.1 22.49 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.947 -0.57 . . . . 2.01 109.722 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.476 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -104.84 121.54 43.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.084 0.468 . . . . 2.1 110.581 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.53 165.95 30.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.628 -0.715 . . . . 1.13 109.316 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.69 -0.671 . . . . 1.27 109.703 178.842 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 C--O 1.226 -0.144 0 N-CA-C 112.044 0.387 . . . . 2.16 112.044 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.91 144.07 49.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.605 0.594 . . . . 1.02 112.605 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.492 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 124.21 174.58 14.13 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.353 -0.927 . . . . 0.24 113.316 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.9 145.8 25.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.874 -0.787 . . . . 2.15 108.874 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 91.1 m-85 -130.44 140.63 50.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.135 -0.32 . . . . 2.2 110.135 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -126.82 146.81 50.13 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.072 -0.513 . . . . 1.41 110.071 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -49.54 120.43 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.07 0.856 . . . . 2.7 112.183 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.29 -50.87 2.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.841 -0.618 . . . . 1.46 110.122 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -154.45 165.71 35.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 1.28 110.588 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -158.83 169.17 24.96 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.835 -0.431 . . . . 1.72 109.835 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -152.36 140.92 20.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.496 -0.32 . . . . 1.44 110.855 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 61.65 30.3 18.49 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.128 -0.942 . . . . 1.16 112.564 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.47 ' O ' HG22 ' A' ' 18' ' ' VAL . 58.3 t80 -61.17 -58.74 7.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.526 0.203 . . . . 2.27 111.069 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -42.54 77.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.909 -0.587 . . . . 1.3 111.546 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -43.82 91.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.124 0.488 . . . . 1.46 110.673 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 119' ' ' TYR . 87.3 t80 -63.21 -55.51 24.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.453 -0.794 . . . . 2.15 111.301 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 14' ' ' TYR . 27.1 m -59.48 -37.09 68.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.0 -0.546 . . . . 1.08 111.994 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -74.14 -28.93 61.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.664 0.269 . . . . 1.67 110.871 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -77.45 -41.41 39.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 1.53 111.297 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.0 pt -75.61 -14.45 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.68 0.276 . . . . 1.06 111.55 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.03 31.3 12.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.423 -0.894 . . . . 0.42 113.078 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -71.68 130.47 87.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.472 -0.566 . . . . 1.11 109.472 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.434 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 32.2 Cg_endo -66.37 142.77 67.33 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.291 1.994 . . . . 0.4 111.726 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.9 -36.22 62.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 1.12 111.277 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 30' ' ' MET . 2.9 m-20 -54.73 -42.92 72.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.762 . . . . 2.03 111.156 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 8.1 mmmt -86.84 -30.34 21.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 1.47 110.78 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 mt -61.07 -56.48 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 1.13 110.446 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -64.42 -31.33 72.49 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.376 0.608 . . . . 1.73 110.596 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 9.1 tpt -66.66 -37.56 85.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.097 -0.956 . . . . 1.63 110.749 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.39 32.22 5.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.837 -0.697 . . . . 0.51 113.016 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -85.95 103.66 14.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.478 -0.425 . . . . 2.94 112.063 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m120 56.37 28.13 13.05 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.533 -0.758 . . . . 2.14 111.973 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.5 m -76.37 164.6 25.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.718 0.294 . . . . 1.22 110.752 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.8 77.03 2.74 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.103 0.477 . . . . 3.03 112.096 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mm -83.07 122.12 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.367 -0.379 . . . . 1.4 110.039 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.3 t -98.78 127.86 50.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 1.11 110.217 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.585 HG22 ' OE1' ' A' ' 51' ' ' GLN . 26.1 m -110.67 108.15 17.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.923 -0.581 . . . . 1.05 109.855 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 55.2 mt-10 -98.03 120.37 38.3 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.809 -0.356 . . . . 1.39 110.097 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.6 t -113.91 122.52 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.268 -0.424 . . . . 1.03 111.958 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.405 ' HB ' ' HG1' ' A' ' 48' ' ' THR . 57.4 t -107.6 126.45 63.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.213 -1.032 . . . . 1.56 108.213 177.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -99.97 109.08 21.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.799 0.666 . . . . 2.06 112.799 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -126.09 74.98 1.48 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.097 1.427 . . . . 2.31 108.885 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.06 -111.68 3.38 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 113.446 -1.706 . . . . 0.42 112.04 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.04 0.55 32.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.99 0.424 . . . . 0.51 110.566 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 24.9 t70 -100.94 114.06 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.191 -0.459 . . . . 1.36 111.077 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -109.69 137.87 46.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.627 -0.715 . . . . 1.66 109.896 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 1.2 p -106.39 133.86 50.42 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.147 -0.479 . . . . 1.34 111.165 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.32 101.26 10.27 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.082 -0.71 . . . . 0.48 109.082 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 1.1 m -103.77 107.51 18.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.964 -0.562 . . . . 1.1 110.31 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.585 ' OE1' HG22 ' A' ' 38' ' ' THR . 6.8 mm100 -98.27 118.88 35.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.93 0.395 . . . . 1.62 110.321 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -105.09 123.85 48.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.494 0.664 . . . . 0.46 111.01 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.515 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.3 t80 -100.7 125.63 38.15 Favored Pre-proline 0 C--N 1.315 -0.897 0 CA-C-N 114.681 -1.145 . . . . 2.11 109.869 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 33.7 Cg_endo -64.54 115.44 3.2 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.472 2.115 . . . . 0.51 111.605 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.56 30.15 76.79 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.835 -0.697 . . . . 0.52 112.636 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.14 -166.95 12.74 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.717 -0.754 . . . . 0.41 112.767 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.9 147.38 35.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.361 0.601 . . . . 3.97 111.246 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 t -99.09 160.79 14.01 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.74 -0.663 . . . . 1.07 110.544 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.2 114.26 8.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.548 -0.296 . . . . 1.11 110.5 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -119.16 123.01 43.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.137 0.494 . . . . 1.04 111.444 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -122.57 133.27 54.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.963 -0.562 . . . . 2.22 110.074 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.7 p -113.19 122.86 48.78 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.104 -0.702 . . . . 1.32 109.104 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -133.59 135.24 44.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.777 0.798 . . . . 1.55 112.371 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.465 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 53.5 m -104.39 129.21 52.34 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.885 -1.052 . . . . 1.03 108.899 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.402 HG23 HD11 ' A' ' 65' ' ' ILE . 45.9 mm -54.27 128.03 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.857 0.361 . . . . 1.05 111.134 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 t70 74.66 17.6 2.93 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.045 -0.98 . . . . 1.1 110.55 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 34.9 tptt -130.57 143.78 50.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.733 -0.667 . . . . 2.09 110.424 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -74.89 125.03 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.807 -0.812 . . . . 2.55 108.807 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.52 158.17 21.99 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.222 0.452 . . . . 1.04 112.222 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -95.82 120.1 35.49 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.729 -1.212 . . . . 1.95 107.729 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.497 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 8.7 mtt -123.23 168.35 12.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.824 0.821 . . . . 1.01 112.595 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.603 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.5 tt0 -155.23 141.85 18.85 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.288 -1.324 . . . . 1.47 108.745 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.9 p -96.55 173.12 7.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.141 0.496 . . . . 1.03 110.379 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.6 mtt -76.36 -10.5 59.44 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.451 -0.574 . . . . 1.64 109.451 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.19 -18.0 65.73 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.621 -0.992 . . . . 0.48 110.621 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.99 22.75 7.77 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.773 -0.727 . . . . 0.48 112.642 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.603 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 6.9 mtp85 -92.39 119.63 32.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.064 0.432 . . . . 1.1 110.78 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.53 124.35 47.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.789 -0.819 . . . . 2.27 108.789 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 51.4 p90 -158.93 178.11 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.709 0.29 . . . . 2.02 111.352 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -136.01 146.45 47.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.293 -0.412 . . . . 3.12 110.127 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.39 161.83 41.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.878 0.37 . . . . 1.05 111.491 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -99.21 131.12 45.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 1.01 109.747 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -114.43 137.86 46.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.801 -0.444 . . . . 1.11 109.801 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' CG ' HG11 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -129.04 176.4 7.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.636 0.255 . . . . 1.79 110.407 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.3 mtt -130.3 126.09 36.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.147 -0.316 . . . . 1.02 110.147 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -124.41 104.19 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.866 0.365 . . . . 2.67 110.71 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.01 36.11 80.39 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.952 -0.567 . . . . 0.6 112.925 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.46 19.67 73.45 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.976 -0.63 . . . . 0.42 112.309 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -122.29 125.5 46.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.271 -0.641 . . . . 2.39 109.271 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mt -80.21 114.88 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.798 0.333 . . . . 1.03 110.239 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.424 HG11 ' CG ' ' A' ' 84' ' ' LYS . 3.0 p -116.65 128.06 74.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.302 0.572 . . . . 1.08 110.795 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.51 139.02 41.63 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.93 -0.577 . . . . 1.03 110.061 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -97.74 122.56 40.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.103 0.478 . . . . 1.19 111.381 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -145.68 159.03 48.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.319 -0.855 . . . . 2.2 110.3 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -80.97 120.79 3.86 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.091 1.861 . . . . 0.42 111.077 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 114' ' ' SER . 1.5 m120 63.8 22.22 12.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.268 -0.424 . . . . 1.9 110.422 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.3 t80 -148.45 127.54 12.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.869 -0.605 . . . . 2.24 110.277 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.571 ' O ' ' HA ' ' A' ' 112' ' ' SER . 34.1 t60 -126.75 115.33 19.22 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.578 -0.897 . . . . 1.37 108.578 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -117.9 113.43 21.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.575 0.226 . . . . 0.92 111.178 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.4 HG21 ' HB ' ' A' ' 91' ' ' VAL . 13.0 p -123.35 129.09 50.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.356 -0.384 . . . . 1.03 110.524 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.28 136.79 52.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.174 -0.466 . . . . 1.09 109.957 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -155.83 175.65 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.772 0.32 . . . . 1.38 111.004 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 107' ' ' LYS . 13.7 mm -112.36 110.86 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.777 -0.647 . . . . 1.13 109.39 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.8 m -121.84 117.56 26.82 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.676 -0.693 . . . . 1.86 109.714 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.12 30.96 76.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.672 -0.775 . . . . 0.96 111.435 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.75 18.64 78.89 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.253 -0.498 . . . . 0.62 111.904 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 103' ' ' ILE . 21.5 mttp -124.74 151.97 44.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 1.8 111.173 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.489 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.6 tm? -89.86 116.54 28.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.717 -0.846 . . . . 1.49 108.717 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.0 p -123.84 119.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 121.219 0.533 . . . . 1.1 110.293 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.476 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 39.3 mt-10 -108.26 125.88 52.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.363 -0.835 . . . . 1.69 110.15 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.98 122.07 59.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.79 -0.818 . . . . 1.14 108.79 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -120.87 111.32 17.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.987 -0.551 . . . . 0.6 110.681 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -99.57 136.47 39.46 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.308 -0.405 . . . . 1.03 110.728 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 75.7 m -149.9 112.55 4.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.302 -0.408 . . . . 1.92 110.987 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.3 m 59.23 32.42 21.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.74 . . . . 1.17 111.714 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 100.52 -28.58 15.17 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.47 -0.871 . . . . 0.52 113.394 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.46 125.69 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 117.193 0.496 . . . . 1.24 110.946 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.8 t -101.12 108.95 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 1.61 111.055 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.401 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 32.4 t80 -96.76 128.61 43.87 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.697 -0.683 . . . . 2.13 109.37 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -123.91 143.76 50.18 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.854 0.359 . . . . 1.77 110.73 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 2.1 ptp180 -138.66 136.25 35.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.966 -0.561 . . . . 3.06 110.234 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.2 m -116.78 123.12 46.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.843 -0.617 . . . . 1.13 110.257 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.2 m -124.46 139.86 53.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.143 -0.48 . . . . 0.67 110.352 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -87.44 154.46 20.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.262 -0.426 . . . . 2.01 109.987 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.507 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.3 OUTLIER -98.91 114.8 27.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 2.1 110.549 -179.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.37 156.02 32.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.656 -0.702 . . . . 1.13 109.66 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.192 -0.909 . . . . 1.27 109.796 179.847 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--O 1.226 -0.154 0 CA-C-O 120.356 0.122 . . . . 2.16 111.048 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.67 141.78 58.64 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.337 0.495 . . . . 1.02 112.337 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.26 172.26 13.0 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.77 -0.729 . . . . 0.24 112.622 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -94.77 143.97 26.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.921 -0.77 . . . . 2.15 108.921 178.165 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.475 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 92.3 m-85 -129.39 136.17 49.62 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.241 -0.436 . . . . 2.2 109.947 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -120.62 144.61 48.05 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.127 -0.488 . . . . 1.41 110.318 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 1.5 t80 -49.17 115.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.049 -0.978 . . . . 2.7 112.454 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.7 tp10 -110.3 -48.98 3.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.702 -0.681 . . . . 1.46 109.994 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.3 m -153.65 163.78 39.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.933 -0.576 . . . . 1.28 110.862 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 2.0 p-10 -148.44 162.14 40.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.528 -0.545 . . . . 1.72 109.528 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -149.09 137.99 21.29 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.101 -0.5 . . . . 1.44 110.592 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 62.86 44.04 6.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.022 -0.99 . . . . 1.16 112.017 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.59 -58.63 3.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.699 0.259 . . . . 2.27 111.699 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -58.62 -41.6 86.3 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.226 -0.443 . . . . 1.3 111.525 -178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -40.84 98.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.073 -0.512 . . . . 1.46 110.323 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.471 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 32.3 t80 -65.74 -55.45 17.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.119 -0.946 . . . . 2.15 111.217 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -59.64 -39.42 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.816 -0.629 . . . . 1.08 111.99 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -72.52 -25.28 61.33 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.917 -0.313 . . . . 1.67 111.375 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -81.7 -48.0 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.836 0.31 . . . . 1.53 111.836 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 17' ' ' PHE . 29.1 pt -68.88 -18.94 23.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 1.06 111.865 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.34 38.9 6.53 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.417 -0.896 . . . . 0.42 112.261 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 tp -77.57 130.49 73.82 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 110.413 -0.218 . . . . 1.11 110.413 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -67.47 144.92 69.11 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.293 1.995 . . . . 0.4 111.865 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.92 -33.34 62.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.483 -0.326 . . . . 1.12 111.188 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.18 -41.49 79.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.592 -0.731 . . . . 2.03 111.293 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -88.21 -33.11 18.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.496 -0.32 . . . . 1.47 110.443 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.5 mt -57.2 -59.06 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.96 -0.563 . . . . 1.13 110.757 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.08 -36.43 81.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.915 -0.584 . . . . 1.73 111.275 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.457 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 5.0 tpt -63.72 -38.23 90.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.553 -0.749 . . . . 1.63 110.716 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.43 35.08 5.03 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.106 -0.569 . . . . 0.51 113.057 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -91.33 108.25 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.974 0.387 . . . . 2.94 111.887 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.48 26.69 15.68 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.078 -0.964 . . . . 2.14 112.008 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.6 m -79.19 142.41 36.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.499 -0.556 . . . . 1.22 109.499 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -71.3 89.56 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.455 0.645 . . . . 3.03 111.844 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.3 mm -84.39 124.01 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.751 -0.659 . . . . 1.4 110.217 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.23 136.22 27.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.312 -0.625 . . . . 1.11 109.312 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.554 HG21 ' OE1' ' A' ' 51' ' ' GLN . 32.0 m -121.04 106.04 11.2 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.077 -0.51 . . . . 1.05 110.367 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.478 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 48.2 mt-10 -95.1 115.07 26.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.981 -0.377 . . . . 1.39 109.981 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 48' ' ' THR . 58.1 t -109.53 124.89 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.685 -0.689 . . . . 1.03 111.707 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.527 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 59.3 t -115.36 130.59 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.34 -0.985 . . . . 1.56 108.34 177.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -106.99 128.81 54.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.922 0.391 . . . . 2.06 111.73 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -141.9 91.53 2.36 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.831 -0.803 . . . . 2.31 108.831 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.17 -96.08 0.87 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.906 -0.664 . . . . 0.42 111.899 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.09 11.24 7.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.264 0.554 . . . . 0.51 110.135 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 28.2 t70 -106.96 121.57 44.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.85 -0.614 . . . . 1.36 110.394 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -115.34 133.12 56.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.101 -0.5 . . . . 1.66 110.049 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.527 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -98.45 141.49 31.24 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.237 -0.438 . . . . 1.34 111.119 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -120.61 101.78 7.98 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.182 -0.673 . . . . 0.48 109.182 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.478 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 1.2 m -103.94 109.71 21.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.944 -0.571 . . . . 1.1 110.256 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.554 ' OE1' HG21 ' A' ' 38' ' ' THR . 8.0 mm100 -101.12 119.71 39.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.838 0.351 . . . . 1.62 110.799 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -108.25 122.64 47.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.396 0.617 . . . . 0.46 111.156 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.457 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 2.4 t80 -97.19 121.0 60.09 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 114.418 -1.265 . . . . 2.11 110.073 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.11 114.3 2.4 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.092 1.862 . . . . 0.51 111.908 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.23 23.26 77.85 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.967 -0.635 . . . . 0.52 112.553 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.01 -170.21 13.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.627 -0.796 . . . . 0.41 112.947 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.75 145.81 42.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 3.97 111.319 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.452 ' C ' ' HG1' ' A' ' 59' ' ' THR . 7.7 t -96.78 161.01 14.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.799 -0.637 . . . . 1.07 110.288 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.452 ' HG1' ' C ' ' A' ' 58' ' ' THR . 3.1 m -145.42 113.88 6.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.748 -0.206 . . . . 1.11 110.833 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 m -111.43 135.8 51.47 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.848 0.356 . . . . 1.04 111.913 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -133.05 154.64 50.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 2.22 109.972 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.9 p -135.1 123.77 23.68 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.058 -0.719 . . . . 1.32 109.058 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.434 ' HA ' ' HB1' ' A' ' 69' ' ' ALA . 55.5 p90 -132.27 137.9 47.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.484 0.659 . . . . 1.55 112.272 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 59.4 m -106.94 130.48 54.59 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.292 -0.867 . . . . 1.03 109.547 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.52 127.57 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 120.919 0.39 . . . . 1.05 111.192 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.0 t70 70.8 25.31 3.98 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.044 0.938 . . . . 1.1 110.419 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 22.7 tptt -137.35 143.95 42.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.64 -0.709 . . . . 2.09 110.485 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -75.23 128.08 34.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.287 -0.634 . . . . 2.55 109.287 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' HB1' ' HA ' ' A' ' 63' ' ' PHE . . . -118.34 158.18 25.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.346 -0.388 . . . . 1.04 111.754 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.26 117.45 30.82 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 107.502 -1.296 . . . . 1.95 107.502 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.469 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 7.1 mtt -120.27 167.51 12.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.57 0.7 . . . . 1.01 111.928 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.633 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 44.6 tt0 -157.01 140.3 15.62 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.487 -1.233 . . . . 1.47 109.037 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 p -96.12 174.09 7.08 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.949 -0.389 . . . . 1.03 109.949 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 mtt -78.3 -4.32 47.37 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.042 -0.725 . . . . 1.64 109.042 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.98 -2.79 83.59 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.857 -0.897 . . . . 0.48 110.857 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.16 26.47 30.95 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.356 -0.449 . . . . 0.48 112.045 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.633 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.6 mtp180 -100.64 121.42 41.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.615 0.245 . . . . 1.1 111.448 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 128.81 51.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.926 -0.768 . . . . 2.27 108.926 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 40.4 p90 -160.18 177.36 10.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 2.02 111.45 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.65 141.45 48.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.481 . . . . 3.12 109.716 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.15 162.77 40.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.249 -0.432 . . . . 1.05 111.055 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.36 132.53 51.43 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.137 -0.483 . . . . 1.01 110.297 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.97 143.14 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.229 -0.441 . . . . 1.11 110.457 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -130.56 176.79 7.87 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.835 -0.432 . . . . 1.79 109.835 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.3 mtt -131.2 118.11 19.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.611 0.243 . . . . 1.02 110.545 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -119.64 112.1 18.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.506 -0.315 . . . . 2.67 110.834 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.48 31.91 77.78 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.038 -0.601 . . . . 0.6 112.649 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.4 28.16 62.25 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.749 -0.739 . . . . 0.42 111.812 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -128.72 128.63 44.42 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.87 -0.789 . . . . 2.39 108.87 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 100' ' ' THR . 1.5 mt -80.45 110.4 15.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 120.807 -0.357 . . . . 1.03 110.829 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 99' ' ' HIS . 2.7 p -113.78 126.0 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-O 121.165 0.507 . . . . 1.08 110.868 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -102.6 142.59 33.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.75 -0.659 . . . . 1.03 110.3 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -102.12 123.11 45.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.906 0.384 . . . . 1.19 111.099 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.451 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 75.0 m-85 -143.19 164.92 28.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.184 -0.916 . . . . 2.2 109.831 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -77.22 113.31 3.56 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 121.821 1.68 . . . . 0.42 111.024 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 114' ' ' SER . 66.2 t30 65.72 15.29 9.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.842 -0.617 . . . . 1.9 111.021 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.505 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.2 t80 -136.6 127.24 27.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.214 0.531 . . . . 2.24 109.884 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.479 ' O ' ' HA ' ' A' ' 112' ' ' SER . 1.2 t60 -126.75 116.28 20.68 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.544 -0.753 . . . . 1.37 109.124 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 91' ' ' VAL . 10.2 t-160 -113.13 117.77 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.184 0.303 . . . . 0.92 110.745 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 72.9 p -127.17 129.2 47.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.753 -0.462 . . . . 1.03 109.753 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.63 137.38 54.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.501 0.191 . . . . 1.09 111.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -153.63 173.95 15.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.872 0.368 . . . . 1.38 111.08 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.5 mm -111.77 111.18 35.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.113 -0.699 . . . . 1.13 109.113 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.8 m -124.57 115.55 21.01 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.049 -0.523 . . . . 1.86 110.354 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.58 25.77 74.49 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.532 -0.627 . . . . 0.96 111.532 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.04 22.31 71.72 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.54 -0.838 . . . . 0.62 111.73 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -131.86 141.41 49.39 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.381 -0.229 . . . . 1.8 110.381 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -83.25 113.85 20.97 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.908 -0.775 . . . . 1.49 108.908 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -119.68 112.69 38.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.605 0.717 . . . . 1.1 109.892 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -100.47 138.88 36.94 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.172 -0.922 . . . . 1.69 109.715 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.0 126.38 74.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.69 -0.686 . . . . 1.14 110.241 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 73.2 m -121.53 111.15 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.601 0.563 . . . . 0.6 110.025 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -99.45 130.72 45.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.747 0.308 . . . . 1.03 111.311 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 66.5 m -145.69 111.46 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.996 -0.547 . . . . 1.92 110.052 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.2 m 59.87 30.59 20.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.829 -0.623 . . . . 1.17 110.892 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.4 -16.76 60.62 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.717 -0.754 . . . . 0.52 112.608 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.71 113.41 16.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.879 0.371 . . . . 1.24 110.302 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.34 104.18 15.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.804 -0.635 . . . . 1.61 111.358 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -94.76 124.55 38.87 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.326 -0.852 . . . . 2.13 109.056 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -125.03 140.67 52.7 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 112.025 0.38 . . . . 1.77 112.025 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 24.4 mtm180 -128.99 128.53 43.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.277 -0.419 . . . . 3.06 110.225 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 8.2 m -102.81 118.21 36.33 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.777 -0.823 . . . . 1.13 108.777 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 m -124.71 135.5 53.07 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.991 -0.374 . . . . 0.67 109.991 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.2 pttt -86.41 155.47 20.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.206 -0.452 . . . . 2.01 110.848 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.522 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -93.58 121.22 34.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.889 -0.596 . . . . 2.1 109.957 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -136.43 166.84 25.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.756 -0.461 . . . . 1.13 109.756 179.099 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.508 -0.552 . . . . 1.27 109.508 179.181 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 . . . . . 0 C--O 1.227 -0.129 0 N-CA-C 111.517 0.192 . . . . 2.16 111.517 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.38 150.84 48.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.5 -0.318 . . . . 1.02 111.436 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.416 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 124.35 172.11 13.55 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.74 -0.743 . . . . 0.24 112.41 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -97.74 145.74 26.06 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.822 -0.807 . . . . 2.15 108.822 178.324 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.563 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 82.1 m-85 -128.76 140.22 51.83 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.493 -0.321 . . . . 2.2 110.195 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -127.84 158.71 37.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.013 -0.54 . . . . 1.41 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -51.12 123.58 9.7 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.499 -0.773 . . . . 2.7 111.736 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.5 tp10 -123.69 -53.45 1.77 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.625 . . . . 1.46 109.908 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.445 ' HB2' ' HB ' ' A' ' 122' ' ' THR . 35.9 m -152.25 160.36 43.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.567 -0.742 . . . . 1.28 110.912 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -153.37 156.56 38.53 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.885 -0.413 . . . . 1.72 109.885 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -147.48 140.43 24.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.386 -0.37 . . . . 1.44 110.134 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 63.49 32.73 14.1 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.519 -0.764 . . . . 1.16 111.017 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -63.34 -56.39 16.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.422 -0.353 . . . . 2.27 110.944 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.38 -41.32 96.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 1.3 110.854 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.3 -45.98 89.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.62 . . . . 1.46 110.377 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.418 ' O ' HG12 ' A' ' 21' ' ' ILE . 82.3 t80 -61.77 -56.18 22.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.957 -1.019 . . . . 2.15 111.481 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -60.99 -36.97 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 1.08 112.161 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -74.26 -22.13 59.45 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.921 -0.312 . . . . 1.67 111.238 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -81.41 -45.06 16.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.425 -0.352 . . . . 1.53 110.831 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 17' ' ' PHE . 24.3 pt -75.21 -13.83 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 1.06 111.802 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.69 36.92 21.48 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.797 -0.716 . . . . 0.42 112.741 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.29 135.24 84.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.16 -0.682 . . . . 1.11 109.16 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.412 ' O ' HG13 ' A' ' 28' ' ' ILE . 27.6 Cg_endo -63.62 139.41 69.62 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.072 1.848 . . . . 0.4 111.49 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.66 -37.96 59.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.952 -0.567 . . . . 1.12 111.375 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.84 -39.57 71.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.252 -0.886 . . . . 2.03 111.482 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -88.93 -30.56 18.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.252 . . . . 1.47 110.561 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 24' ' ' PRO . 53.8 mt -60.1 -57.88 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.414 0.626 . . . . 1.13 110.325 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 24.4 mm-40 -65.14 -30.5 71.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.167 -0.924 . . . . 1.73 110.953 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.506 ' HE2' ' O ' ' A' ' 30' ' ' MET . 7.7 tpt -71.26 -32.26 68.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.951 -0.568 . . . . 1.63 111.299 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.62 14.35 53.68 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 119.907 -1.14 . . . . 0.51 114.056 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.3 ptp180 -105.1 139.03 40.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.434 0.617 . . . . 2.94 110.282 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.43 19.12 11.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.399 0.618 . . . . 2.14 110.334 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.2 m -104.31 153.52 20.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.309 -0.859 . . . . 1.22 110.296 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -91.33 92.1 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.17 0.509 . . . . 3.03 111.94 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.28 111.38 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.629 -0.878 . . . . 1.4 108.629 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.95 139.1 18.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.233 -0.439 . . . . 1.11 110.686 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.6 ' HA ' ' O ' ' A' ' 50' ' ' THR . 33.5 m -122.43 104.89 9.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.201 -0.454 . . . . 1.05 109.875 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.8 120.22 35.69 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.165 -0.309 . . . . 1.39 110.165 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.9 t -113.49 129.17 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 123.556 0.535 . . . . 1.03 111.404 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.432 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 47.4 t -118.22 130.14 73.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.313 -0.995 . . . . 1.56 108.313 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -94.08 112.68 24.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.959 0.409 . . . . 2.06 111.973 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -118.97 73.68 0.94 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.737 -0.838 . . . . 2.31 108.737 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.16 -99.37 0.78 Allowed Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.726 -0.95 . . . . 0.42 110.726 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.2 5.53 15.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.327 0.584 . . . . 0.51 109.49 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 33.4 t70 -104.09 111.57 24.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.287 -0.87 . . . . 1.36 110.004 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -109.15 134.64 51.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.11 -0.496 . . . . 1.66 109.983 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.553 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -100.48 120.83 40.59 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.108 -0.496 . . . . 1.34 111.68 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -101.38 102.97 13.89 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.209 -0.663 . . . . 0.48 109.209 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.6 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.3 m -105.71 114.38 28.51 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.274 -0.421 . . . . 1.1 111.186 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.457 ' NE2' HG22 ' A' ' 38' ' ' THR . 3.5 mp0 -100.45 118.7 37.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.056 -0.35 . . . . 1.62 110.056 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -105.32 130.61 53.4 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.141 -0.481 . . . . 0.46 110.208 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -108.75 130.67 22.46 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.814 -0.63 . . . . 2.11 110.245 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.71 112.9 2.78 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 121.622 1.548 . . . . 0.51 111.624 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.47 27.71 72.23 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 115.903 -0.59 . . . . 0.52 113.103 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.95 -167.01 13.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.298 -0.953 . . . . 0.41 113.234 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.609 ' NH2' ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -73.69 148.62 42.53 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.117 0.484 . . . . 3.97 111.513 -179.225 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -102.11 154.07 19.34 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.066 -0.515 . . . . 1.07 109.677 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -132.65 115.21 15.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.444 -0.344 . . . . 1.11 110.303 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.9 m -124.06 128.02 48.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.952 0.406 . . . . 1.04 111.961 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.92 122.99 21.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.848 -0.615 . . . . 2.22 110.04 178.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.9 p -97.67 132.2 43.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.2 -0.909 . . . . 1.32 109.138 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.441 ' CE1' HG21 ' A' ' 90' ' ' ILE . 52.7 p90 -133.8 138.28 45.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.535 0.683 . . . . 1.55 111.457 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.51 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 95.0 m -107.02 127.2 53.25 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.024 -0.989 . . . . 1.03 108.561 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -53.47 128.89 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.02 0.438 . . . . 1.05 111.038 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 70.32 24.81 4.63 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.117 -0.947 . . . . 1.1 110.319 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.51 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.6 tptt -137.84 141.52 40.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.518 -0.765 . . . . 2.09 110.311 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -70.03 135.64 49.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.73 -0.841 . . . . 2.55 108.73 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.78 143.9 51.11 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.998 0.428 . . . . 1.04 111.796 -178.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.94 116.14 19.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.162 -1.051 . . . . 1.95 108.162 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.411 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 23.2 mtt -120.6 163.68 17.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.413 0.625 . . . . 1.01 112.173 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 10.0 tt0 -153.42 145.15 23.43 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.863 -1.162 . . . . 1.47 107.863 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.416 HG23 ' HB2' ' A' ' 77' ' ' ARG . 20.8 p -103.2 167.63 9.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.136 0.494 . . . . 1.03 110.788 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.609 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . 54.2 mtt -64.12 -14.13 52.72 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.394 -0.821 . . . . 1.64 110.353 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.34 -9.27 67.28 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.897 -0.592 . . . . 0.48 112.204 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.35 31.23 8.08 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.065 -0.588 . . . . 0.48 113.501 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.599 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 5.7 mtp85 -91.44 122.54 34.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.567 -0.373 . . . . 1.1 110.959 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.458 ' HZ3' ' CD ' ' A' ' 72' ' ' GLU . 66.0 mmtt -96.43 120.83 37.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.564 -0.902 . . . . 2.27 108.564 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 35.6 p90 -164.02 176.21 9.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.063 0.458 . . . . 2.02 111.874 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -141.82 142.81 33.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.311 -0.859 . . . . 3.12 109.903 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.44 161.41 39.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.12 -0.491 . . . . 1.05 110.483 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -103.45 122.47 44.95 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.3 -0.63 . . . . 1.01 109.3 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.44 140.06 22.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.267 -0.424 . . . . 1.11 110.184 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -128.1 178.74 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.789 -0.448 . . . . 1.79 109.789 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.5 mtt -131.57 117.86 19.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.605 -0.27 . . . . 1.02 110.29 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -110.4 96.66 6.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.916 0.389 . . . . 2.67 110.933 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.45 43.45 92.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.251 -0.499 . . . . 0.6 112.918 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.48 23.06 68.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.42 112.786 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -124.28 122.21 37.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.491 -0.559 . . . . 2.39 109.491 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.441 HG21 ' CE1' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -77.94 108.95 11.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.745 -0.465 . . . . 1.03 109.745 179.349 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 p -115.7 133.67 61.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.043 -0.526 . . . . 1.08 110.982 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.51 141.54 48.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.805 -0.634 . . . . 1.03 109.654 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.92 122.45 44.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.321 0.581 . . . . 1.19 111.595 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.445 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 75.8 m-85 -139.48 157.63 70.06 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.093 -0.958 . . . . 2.2 110.288 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.51 112.41 1.93 Allowed 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 121.986 1.791 . . . . 0.42 111.747 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 114' ' ' SER . 0.7 OUTLIER 61.99 12.92 5.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.634 -0.712 . . . . 1.9 111.866 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.53 ' HA ' ' O ' ' A' ' 113' ' ' THR . 7.1 t80 -130.28 126.3 36.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.431 -0.581 . . . . 2.24 109.431 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.497 ' O ' ' HA ' ' A' ' 112' ' ' SER . 34.6 t60 -122.99 115.18 21.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.998 -0.546 . . . . 1.37 109.599 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -113.01 115.76 28.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.661 0.267 . . . . 0.92 110.749 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.3 p -125.87 128.79 48.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.223 -0.444 . . . . 1.03 109.916 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.5 137.13 52.75 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 123.134 0.271 . . . . 1.09 110.455 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.59 -176.23 5.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.101 0.477 . . . . 1.38 111.096 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.2 mm -115.24 123.49 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.18 -0.918 . . . . 1.13 109.444 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.6 m -132.83 104.02 6.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.226 -0.443 . . . . 1.86 109.893 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.51 36.14 76.46 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.894 -0.594 . . . . 0.96 112.375 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.14 26.2 72.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.024 -0.607 . . . . 0.62 111.936 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -132.99 147.87 52.27 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.718 -0.241 . . . . 1.8 110.368 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.476 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -91.91 114.75 27.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.813 -0.81 . . . . 1.49 108.813 179.202 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.5 p -116.29 108.1 24.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.7 0.762 . . . . 1.1 109.719 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.448 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 6.6 mt-10 -96.03 119.0 33.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.163 -0.926 . . . . 1.69 109.705 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.33 129.98 50.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.816 -0.629 . . . . 1.14 109.716 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 72.9 m -128.71 111.2 12.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.076 -0.511 . . . . 0.6 110.141 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -96.59 131.46 43.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.145 -0.479 . . . . 1.03 110.48 179.041 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 43.7 p -140.63 111.68 7.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.667 -0.494 . . . . 1.92 109.667 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.4 m 59.18 26.61 15.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.89 -0.595 . . . . 1.17 111.443 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.63 -28.35 13.64 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.735 -0.745 . . . . 0.52 113.189 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 113' ' ' THR . 71.0 t -72.4 126.57 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.911 0.356 . . . . 1.24 111.096 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.3 t -100.1 105.4 17.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.868 -0.606 . . . . 1.61 110.756 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -91.84 127.31 37.25 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.81 -0.632 . . . . 2.13 109.41 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -121.58 130.13 53.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.955 0.407 . . . . 1.77 111.17 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.448 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -127.96 123.41 34.77 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.426 -0.583 . . . . 3.06 109.426 178.251 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 3.8 m -101.33 118.63 37.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.588 -0.733 . . . . 1.13 110.009 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m -116.85 132.05 56.8 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.823 -0.626 . . . . 0.67 110.434 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.563 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 8.1 pttm -81.0 155.52 26.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.919 -0.582 . . . . 2.01 110.24 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.491 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -98.7 123.98 43.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 2.1 110.728 -179.556 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.573 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -139.98 167.59 18.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.714 -0.847 . . . . 1.13 108.714 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.55 -0.738 . . . . 1.27 111.026 179.84 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.567 0.223 . . . . 2.16 110.666 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.53 141.66 58.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.125 -0.489 . . . . 1.02 110.914 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.28 168.39 12.03 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 120.571 -0.823 . . . . 0.24 111.714 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -98.6 142.41 30.22 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.836 -0.801 . . . . 2.15 108.836 178.353 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 83.3 m-85 -128.63 140.7 51.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.557 -0.292 . . . . 2.2 110.756 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -124.49 158.07 33.75 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.249 -0.432 . . . . 1.41 110.68 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.91 135.68 23.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 2.7 111.388 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -137.37 -55.45 0.7 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.568 -0.742 . . . . 1.46 109.837 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.5 m -152.39 144.28 23.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.15 -0.477 . . . . 1.28 110.841 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.8 151.43 45.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 1.72 110.1 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.485 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 4.1 tt0 -135.33 147.5 49.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.478 -0.328 . . . . 1.44 110.609 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 58.48 45.04 17.08 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.573 -0.74 . . . . 1.16 110.923 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.689 ' OH ' ' HA ' ' A' ' 32' ' ' ARG . 1.9 t80 -64.48 -68.82 0.32 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.497 -0.774 . . . . 2.27 111.996 -178.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.445 ' HA ' HG21 ' A' ' 18' ' ' VAL . 13.0 m-20 -64.81 -35.57 81.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.338 -0.392 . . . . 1.3 111.251 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -60.4 -42.73 96.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.271 0.558 . . . . 1.46 110.768 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -67.68 -53.39 28.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.676 -0.693 . . . . 2.15 111.112 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 15' ' ' ASP . 27.5 m -63.13 -35.22 70.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.022 -0.535 . . . . 1.08 111.803 -178.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -71.33 -28.72 64.29 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.821 0.344 . . . . 1.67 110.48 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -75.1 -46.62 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 1.53 111.022 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.4 pt -74.19 -9.27 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 1.06 111.576 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.02 32.55 48.76 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.884 -0.674 . . . . 0.42 112.645 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD22 HG12 ' A' ' 28' ' ' ILE . 20.1 tp -68.08 133.14 91.79 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.441 -0.577 . . . . 1.11 109.441 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.69 136.61 63.49 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.125 1.883 . . . . 0.4 111.457 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.38 67.8 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.026 -0.534 . . . . 1.12 110.983 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.12 -42.98 86.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.522 -0.763 . . . . 2.03 110.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -86.87 -23.16 25.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.432 -0.349 . . . . 1.47 110.453 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 32' ' ' ARG . 21.7 mt -62.37 -57.3 12.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.196 0 CA-C-O 120.907 0.384 . . . . 1.13 109.986 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.25 -28.47 68.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 1.73 110.209 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.9 tpt -68.46 -35.55 77.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.662 -0.699 . . . . 1.63 110.153 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.91 43.53 1.67 Allowed Glycine 0 N--CA 1.44 -1.092 0 C-N-CA 120.549 -0.834 . . . . 0.51 112.299 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.689 ' HA ' ' OH ' ' A' ' 14' ' ' TYR . 7.4 ptm180 -124.31 134.1 53.28 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.773 0.321 . . . . 2.94 110.335 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 63.67 27.52 14.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.371 -0.831 . . . . 2.14 110.408 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.4 m -97.53 140.03 32.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.116 -0.493 . . . . 1.22 110.885 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -72.77 85.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 3.03 110.997 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.3 mm -85.37 123.75 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.6 . . . . 1.4 110.019 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 t -100.78 128.43 52.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.272 -0.422 . . . . 1.11 110.077 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.7 m -110.03 105.79 15.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.156 -0.474 . . . . 1.05 109.857 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -100.64 114.81 28.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.778 0.323 . . . . 1.39 110.237 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.555 ' HA ' ' O ' ' A' ' 48' ' ' THR . 59.5 t -109.31 135.14 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 1.03 112.352 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -123.01 132.51 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.96 -0.756 . . . . 1.56 108.96 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -91.43 115.27 27.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.028 0.442 . . . . 2.06 111.721 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -126.61 76.43 1.63 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.831 -0.622 . . . . 2.31 109.366 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.09 -102.76 1.28 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 110.649 -0.98 . . . . 0.42 110.649 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.67 6.46 12.42 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.217 -0.66 . . . . 0.51 109.217 177.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -102.43 110.36 22.28 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.121 -0.945 . . . . 1.36 109.057 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -106.49 130.86 54.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.71 -0.478 . . . . 1.66 109.71 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.555 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -95.23 129.1 42.48 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.048 -0.524 . . . . 1.34 111.713 -179.695 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.49 103.09 11.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.202 -0.666 . . . . 0.48 109.202 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 38' ' ' THR . 4.7 m -101.65 121.74 42.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.904 -0.589 . . . . 1.1 110.746 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.415 ' HB3' ' HE1' ' A' ' 74' ' ' MET . 37.6 mm-40 -107.46 117.69 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.641 -0.503 . . . . 1.62 109.641 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -105.1 126.29 51.92 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.387 0.613 . . . . 0.46 111.307 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.454 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.3 t80 -106.06 122.31 42.74 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 114.745 -1.116 . . . . 2.11 109.79 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.5 Cg_endo -64.79 114.05 2.6 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.136 1.891 . . . . 0.51 112.175 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.58 28.82 72.94 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.861 -0.685 . . . . 0.52 112.526 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.97 -166.67 11.76 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.369 -0.919 . . . . 0.41 112.374 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.47 140.49 38.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 3.97 110.449 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -95.23 158.65 15.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.203 -0.453 . . . . 1.07 110.663 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.1 126.28 24.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.86 -0.609 . . . . 1.11 109.555 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 m -136.7 121.2 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.133 -0.354 . . . . 1.04 111.257 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.589 ' ND2' ' HA ' ' A' ' 71' ' ' MET . 18.6 m120 -129.77 143.84 51.01 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.118 0.485 . . . . 2.22 110.96 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.7 p -115.81 128.7 56.03 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.383 -0.826 . . . . 1.32 109.297 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -131.32 140.11 49.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.101 0.477 . . . . 1.55 111.172 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.2 m -107.32 130.93 54.71 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.743 -0.662 . . . . 1.03 109.378 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.423 HG21 ' HA ' ' A' ' 84' ' ' LYS . 51.8 mm -54.1 125.46 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 116.36 -0.382 . . . . 1.05 111.29 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.17 29.36 3.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.359 1.064 . . . . 1.1 110.583 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 5.5 tppt? -138.15 151.95 48.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.752 -0.658 . . . . 2.09 111.231 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 59.2 mm-40 -72.57 130.84 41.53 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.62 -0.882 . . . . 2.55 108.62 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -129.16 135.63 49.11 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.412 -0.515 . . . . 1.04 112.039 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.5 117.23 15.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.348 -0.842 . . . . 1.95 109.152 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.589 ' HA ' ' ND2' ' A' ' 61' ' ' ASN . 31.0 mtt -119.65 165.99 13.76 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.597 0.962 . . . . 1.01 113.597 -178.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 28.6 tt0 -155.18 142.74 19.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.138 -0.937 . . . . 1.47 109.115 178.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.3 p -98.83 173.16 7.0 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.787 -0.449 . . . . 1.03 109.787 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.415 ' HE1' ' HB3' ' A' ' 51' ' ' GLN . 28.4 mtt -76.5 -12.53 60.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.199 -0.455 . . . . 1.64 110.287 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.09 -8.04 84.45 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.797 -0.716 . . . . 0.48 111.385 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.75 33.0 6.9 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.963 -0.637 . . . . 0.48 112.513 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.0 mtp180 -97.38 125.11 41.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.779 -0.368 . . . . 1.1 110.491 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.43 122.69 44.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.873 -0.788 . . . . 2.27 108.873 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 41.9 p90 -163.78 -179.88 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.616 -0.72 . . . . 2.02 109.785 -177.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.73 154.49 40.61 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.873 -0.788 . . . . 3.12 108.873 176.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.487 ' O ' ' HE1' ' A' ' 71' ' ' MET . . . -154.94 164.33 39.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.173 0.511 . . . . 1.05 112.067 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.3 137.2 32.84 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.629 -0.714 . . . . 1.01 110.264 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.0 144.37 32.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.457 -0.571 . . . . 1.11 109.457 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.454 ' HG2' HG11 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -140.76 172.4 12.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.905 0.32 . . . . 1.79 110.915 179.431 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.4 ' HE3' HG12 ' A' ' 90' ' ' ILE . 2.6 mtt -120.57 122.71 41.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.642 -0.253 . . . . 1.02 110.627 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -120.36 96.8 5.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.895 0.379 . . . . 2.67 110.969 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.78 37.27 66.37 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 121.16 -0.543 . . . . 0.6 113.162 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.04 28.27 46.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.42 111.946 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -133.99 121.09 21.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.798 -0.445 . . . . 2.39 109.798 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.4 HG12 ' HE3' ' A' ' 85' ' ' MET . 2.1 mt -79.51 110.64 15.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 110.003 -0.369 . . . . 1.03 110.003 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.454 HG11 ' HG2' ' A' ' 84' ' ' LYS . 3.7 p -114.1 132.55 62.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.228 0.537 . . . . 1.08 110.805 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.45 136.04 48.74 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.324 -0.853 . . . . 1.03 109.93 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -93.72 122.96 36.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.035 0.445 . . . . 1.19 111.741 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 97' ' ' TYR . 76.7 m-85 -143.88 153.12 57.04 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 2.2 110.572 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.15 115.34 4.11 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.194 1.929 . . . . 0.42 111.367 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 114' ' ' SER . 64.4 t30 69.39 16.17 8.32 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.385 0.612 . . . . 1.9 110.271 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.55 ' HA ' ' O ' ' A' ' 113' ' ' THR . 4.4 t80 -144.73 126.52 15.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 2.24 109.84 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.545 ' O ' ' HA ' ' A' ' 112' ' ' SER . 20.3 t60 -123.86 117.18 24.26 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.368 -0.605 . . . . 1.37 109.368 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -116.24 118.25 32.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.759 -0.201 . . . . 0.92 110.732 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.9 p -127.41 129.1 46.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.744 0.307 . . . . 1.03 111.113 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.75 131.58 56.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.44 -0.345 . . . . 1.09 110.109 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.24 175.36 10.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.042 0.448 . . . . 1.38 110.907 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.9 mm -124.21 111.6 29.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.506 -0.77 . . . . 1.13 109.574 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 m -132.31 106.7 8.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.213 -0.448 . . . . 1.86 110.394 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.12 27.82 29.94 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.949 -0.569 . . . . 0.96 111.837 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.92 30.6 72.33 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.817 -0.706 . . . . 0.62 111.445 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -138.31 149.86 46.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.054 0.454 . . . . 1.8 110.364 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -93.72 113.47 25.55 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.458 -0.792 . . . . 1.49 109.04 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -117.19 109.46 27.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.524 0.678 . . . . 1.1 109.72 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -96.14 131.35 42.68 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.412 -0.813 . . . . 1.69 110.195 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.402 HG23 HG11 ' A' ' 118' ' ' VAL . 4.2 mp -112.02 124.03 68.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.002 -0.545 . . . . 1.14 109.706 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 19.5 m -122.12 109.9 15.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.933 -0.576 . . . . 0.6 109.735 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.55 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -99.52 134.17 42.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.31 -0.405 . . . . 1.03 111.107 -179.698 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 56.5 m -144.32 107.27 4.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.173 -0.467 . . . . 1.92 109.986 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.1 m 60.41 33.14 20.73 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.698 -0.683 . . . . 1.17 111.576 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.65 -36.74 4.18 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.501 -0.857 . . . . 0.52 113.278 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 113' ' ' THR . 56.2 t -68.01 123.3 21.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.863 0.363 . . . . 1.24 111.144 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.402 HG11 HG23 ' A' ' 111' ' ' ILE . 99.8 t -100.76 107.93 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.89 -0.595 . . . . 1.61 111.026 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -92.22 112.85 24.95 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.069 -0.514 . . . . 2.13 109.758 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.485 ' HD2' ' OE2' ' A' ' 12' ' ' GLU . 22.3 mttt -107.64 131.29 54.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.566 -0.288 . . . . 1.77 111.155 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -131.41 118.84 20.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.569 0.7 . . . . 3.06 109.587 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.2 m -102.32 123.27 45.82 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.577 -0.738 . . . . 1.13 110.125 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.8 m -121.62 136.64 54.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.243 -0.435 . . . . 0.67 110.059 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.0 pttm -80.18 156.9 26.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.354 -0.384 . . . . 2.01 110.24 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 126.8 41.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.461 . . . . 2.1 111.213 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.4 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -143.36 166.52 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.438 -0.801 . . . . 1.13 109.507 178.678 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.576 -0.726 . . . . 1.27 109.851 179.056 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.534 0.207 . . . . 2.16 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.56 138.17 58.25 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.059 0.392 . . . . 1.02 112.059 -179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 170.02 11.75 Favored Glycine 0 N--CA 1.44 -1.061 0 C-N-CA 120.737 -0.744 . . . . 0.24 112.413 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 141.87 28.1 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.58 -0.896 . . . . 2.15 108.58 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 97.2 m-85 -127.05 142.53 51.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.504 -0.316 . . . . 2.2 110.34 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -129.69 148.31 51.56 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.973 -0.291 . . . . 1.41 110.348 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -45.65 114.33 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.292 0.995 . . . . 2.7 112.682 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -109.85 -56.16 2.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.461 -0.791 . . . . 1.46 110.341 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 m -146.37 166.18 27.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.51 -0.314 . . . . 1.28 110.66 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.55 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 8.6 t70 -151.57 156.19 39.97 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.0 -0.37 . . . . 1.72 110.0 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -151.85 136.77 17.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 1.44 111.112 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.07 36.35 9.86 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.219 -0.9 . . . . 1.16 112.098 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.55 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 38.4 t80 -63.52 -62.81 1.43 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.313 0.486 . . . . 2.27 112.313 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.442 ' HA ' HG21 ' A' ' 18' ' ' VAL . 4.9 m-20 -58.63 -38.46 78.11 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.113 0.412 . . . . 1.3 112.113 -178.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.76 -39.74 89.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.325 0.583 . . . . 1.46 109.642 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -68.26 -55.58 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.059 -0.973 . . . . 2.15 111.155 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 15' ' ' ASP . 31.5 m -60.86 -35.4 64.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.086 -0.507 . . . . 1.08 112.126 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -71.09 -26.93 63.26 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 120.913 -0.315 . . . . 1.67 110.949 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -81.6 -44.4 17.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.841 0.353 . . . . 1.53 111.625 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.6 pt -70.75 -17.07 20.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.271 -0.422 . . . . 1.06 111.685 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.43 39.18 9.17 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.768 -0.729 . . . . 0.42 112.354 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.454 HD21 HG12 ' A' ' 28' ' ' ILE . 16.0 tp -78.36 134.41 62.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.16 -0.311 . . . . 1.11 110.16 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.78 145.59 69.55 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.399 2.066 . . . . 0.4 111.795 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.73 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 1.12 111.521 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' MET . 13.3 m-20 -59.18 -37.17 76.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.552 -0.749 . . . . 2.03 111.705 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -88.43 -34.26 17.58 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 121.036 -0.266 . . . . 1.47 110.642 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.454 HG12 HD21 ' A' ' 23' ' ' LEU . 64.3 mt -55.83 -56.51 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 1.13 110.904 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.518 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 11.5 mm-40 -67.39 -31.61 71.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.143 0.497 . . . . 1.73 111.116 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.471 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 9.4 tpt -65.76 -38.77 89.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.57 -0.741 . . . . 1.63 110.178 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.516 ' HA2' ' HG ' ' A' ' 34' ' ' CYS . . . -109.85 37.91 3.56 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.766 -0.73 . . . . 0.51 114.253 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.518 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.5 ptp180 -119.9 135.46 54.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.87 0.835 . . . . 2.94 111.011 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 59.46 22.51 11.03 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.4 -0.818 . . . . 2.14 111.95 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.516 ' HG ' ' HA2' ' A' ' 31' ' ' GLY . 1.1 p -94.16 151.49 19.44 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.085 -0.339 . . . . 1.22 110.085 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HG3' ' HG3' ' A' ' 54' ' ' PRO . 2.5 ptpt -80.68 88.97 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.721 0.772 . . . . 3.03 111.782 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mm -85.35 123.74 39.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.728 -0.669 . . . . 1.4 109.741 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.405 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 5.4 t -98.33 125.46 51.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.262 -0.427 . . . . 1.11 110.166 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.696 ' HA ' ' O ' ' A' ' 50' ' ' THR . 25.0 m -107.6 106.0 16.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.759 -0.655 . . . . 1.05 110.289 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 58.9 mt-10 -94.18 117.66 30.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.048 -0.352 . . . . 1.39 110.048 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 48' ' ' THR . 59.7 t -111.11 124.47 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 123.467 0.48 . . . . 1.03 111.376 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.49 126.75 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 108.602 -0.888 . . . . 1.56 108.602 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -91.91 120.87 32.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.042 0.449 . . . . 2.06 111.853 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -128.16 75.34 1.61 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.715 -0.675 . . . . 2.31 109.235 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.07 -95.81 0.76 Allowed Glycine 0 CA--C 1.507 -0.42 0 N-CA-C 111.339 -0.704 . . . . 0.42 111.339 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.16 9.23 10.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.229 -0.656 . . . . 0.51 109.229 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 35.5 t70 -108.13 108.97 20.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.07 -0.968 . . . . 1.36 109.339 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -104.69 137.7 42.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.353 -0.61 . . . . 1.66 109.353 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 73.2 p -99.08 139.08 35.25 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 120.937 0.399 . . . . 1.34 110.531 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -118.4 102.45 8.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.956 -0.565 . . . . 0.48 109.503 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.696 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.3 m -101.92 124.36 47.41 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.089 -0.505 . . . . 1.1 110.232 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -110.14 116.8 32.19 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.384 -0.599 . . . . 1.62 109.384 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.405 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 92.9 m-70 -105.66 125.9 51.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.106 0.479 . . . . 0.46 111.304 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.471 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 2.2 t80 -102.15 122.64 46.18 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-N 115.163 -0.926 . . . . 2.11 109.344 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 39.7 Cg_endo -66.03 114.4 2.98 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.257 1.971 . . . . 0.51 111.147 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.9 26.99 71.42 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.588 -0.815 . . . . 0.52 112.091 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.21 -165.15 11.59 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.497 -0.859 . . . . 0.41 113.064 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.88 146.74 33.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.988 0.423 . . . . 3.97 111.187 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -98.47 156.79 16.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.237 -0.438 . . . . 1.07 110.691 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -136.51 114.04 10.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.262 -0.427 . . . . 1.11 110.454 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.7 m -121.83 127.06 50.12 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.874 0.324 . . . . 1.04 111.874 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.616 ' ND2' ' HA ' ' A' ' 71' ' ' MET . 23.5 m120 -138.37 130.51 28.58 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.107 0.48 . . . . 2.22 110.578 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.42 ' O ' ' HB1' ' A' ' 69' ' ' ALA . 60.3 p -105.2 136.65 44.32 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.696 -0.684 . . . . 1.32 109.38 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -136.2 138.07 41.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.434 0.635 . . . . 1.55 111.832 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.512 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 80.7 m -105.29 132.8 51.03 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.614 -0.721 . . . . 1.03 109.638 178.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.22 126.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.491 -0.322 . . . . 1.05 110.687 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t70 75.65 25.08 1.23 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.887 0.851 . . . . 1.1 109.139 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.512 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 9.7 tppt? -137.68 149.45 46.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.997 -1.001 . . . . 2.09 110.776 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -83.51 126.81 33.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.851 -0.796 . . . . 2.55 108.851 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 62' ' ' SER . . . -123.47 140.76 52.68 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.457 0.54 . . . . 1.04 112.457 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.7 115.37 13.04 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.304 -0.628 . . . . 1.95 109.304 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.616 ' HA ' ' ND2' ' A' ' 61' ' ' ASN . 8.0 mtt -115.44 161.38 18.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.951 0.722 . . . . 1.01 112.951 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 30.5 tt0 -148.74 143.48 26.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.469 -0.787 . . . . 1.47 109.764 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 p -101.05 168.41 9.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.492 -0.558 . . . . 1.03 109.492 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.1 mtt -75.12 -1.1 21.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.851 0.358 . . . . 1.64 110.099 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.39 -1.36 64.43 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.325 -0.71 . . . . 0.48 111.325 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.99 25.48 26.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.014 -0.612 . . . . 0.48 112.337 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 12.3 mtp180 -93.24 120.17 33.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.965 0.412 . . . . 1.1 110.948 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -100.26 123.19 44.19 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.614 -0.884 . . . . 2.27 108.614 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 42.6 p90 -163.39 -177.15 5.13 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 116.169 -0.469 . . . . 2.02 109.77 -177.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.6 151.25 29.52 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.735 -0.839 . . . . 3.12 108.735 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.68 164.92 34.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.854 0.359 . . . . 1.05 111.727 -177.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.35 133.42 39.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.828 -0.624 . . . . 1.01 110.095 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -119.3 137.16 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.089 -0.505 . . . . 1.11 110.601 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.4 ' HG2' HG12 ' A' ' 91' ' ' VAL . 2.4 pttp -129.72 168.66 16.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.654 0.264 . . . . 1.79 110.408 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -121.83 128.54 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.765 0.316 . . . . 1.02 110.41 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -141.02 119.17 12.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.373 -0.376 . . . . 2.67 110.408 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.23 31.63 71.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.019 -0.61 . . . . 0.6 112.06 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.12 31.41 69.3 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.816 -0.707 . . . . 0.42 111.341 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -133.1 129.62 38.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.028 -0.36 . . . . 2.39 110.028 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.8 mt -84.11 111.35 19.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.074 -0.512 . . . . 1.03 110.026 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.4 HG12 ' HG2' ' A' ' 84' ' ' LYS . 6.3 p -114.07 133.26 60.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.223 0.535 . . . . 1.08 110.223 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -107.43 136.86 46.5 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.038 -0.528 . . . . 1.03 111.082 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -86.67 119.53 27.01 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.3 -0.409 . . . . 1.19 111.722 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 70.6 m-85 -146.31 151.63 44.46 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.902 -0.59 . . . . 2.2 110.878 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.54 115.53 4.33 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.727 2.285 . . . . 0.42 111.557 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 64.57 17.77 11.04 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.31 0.576 . . . . 1.9 110.56 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.493 ' HB3' ' CB ' ' A' ' 94' ' ' PHE . 4.0 t80 -140.06 130.1 24.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.403 0.62 . . . . 2.24 110.191 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -129.56 111.66 12.95 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.824 -0.626 . . . . 1.37 110.095 179.285 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 5.6 t60 -112.56 115.55 28.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.022 0.439 . . . . 0.92 110.579 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.8 p -123.05 129.41 51.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.944 -0.571 . . . . 1.03 110.922 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.1 134.95 54.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.31 -0.405 . . . . 1.09 110.161 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.86 176.67 11.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.668 0.271 . . . . 1.38 111.228 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.3 mm -115.02 111.79 37.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.787 -0.642 . . . . 1.13 109.958 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.0 m -123.74 105.55 9.77 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.006 0.431 . . . . 1.86 110.427 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.28 36.23 50.9 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.96 111.903 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.71 26.33 74.55 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 121.167 -0.54 . . . . 0.62 112.403 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -135.08 148.22 49.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.827 0.346 . . . . 1.8 111.272 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.53 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -88.92 116.52 27.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.01 -0.737 . . . . 1.49 109.01 179.23 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.6 p -120.6 111.39 31.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 N-CA-C 109.724 -0.473 . . . . 1.1 109.724 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.426 ' CD ' HH21 ' A' ' 121' ' ' ARG . 22.9 mt-10 -99.08 134.8 41.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.698 -0.683 . . . . 1.69 110.385 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 4.2 mp -115.66 130.51 70.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.656 -0.702 . . . . 1.14 109.632 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.6 m -125.34 108.78 12.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.26 -0.645 . . . . 0.6 109.26 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -98.93 128.41 45.09 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.405 -0.362 . . . . 1.03 111.635 -179.515 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.0 p -137.41 108.01 6.57 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.428 -0.582 . . . . 1.92 109.428 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.6 m 57.9 41.44 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.129 0.49 . . . . 1.17 111.116 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.74 -32.43 5.83 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.63 -0.795 . . . . 0.52 112.819 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 113' ' ' THR . 98.0 t -65.27 113.4 2.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.725 0.297 . . . . 1.24 110.419 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.3 t -95.7 109.45 22.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.111 -0.495 . . . . 1.61 111.038 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 111' ' ' ILE . 69.7 t80 -94.02 134.64 36.21 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.747 -0.661 . . . . 2.13 109.821 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -130.27 138.38 50.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.775 0.321 . . . . 1.77 111.555 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.426 HH21 ' CD ' ' A' ' 110' ' ' GLU . 23.0 ptt180 -141.21 122.2 14.57 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.171 -0.677 . . . . 3.06 109.171 177.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.9 m -100.22 131.15 46.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.566 -0.743 . . . . 1.13 110.636 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.9 m -126.78 132.87 50.95 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.008 -0.542 . . . . 0.67 110.186 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 53.1 pttt -80.01 155.31 27.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.196 -0.456 . . . . 2.01 109.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.522 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -99.78 122.92 43.47 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.019 -0.363 . . . . 2.1 110.019 -179.413 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.94 164.69 34.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.905 -0.589 . . . . 1.13 109.61 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.968 -0.539 . . . . 1.27 110.309 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 CA--C 1.522 -0.125 0 N-CA-C 110.258 -0.275 . . . . 2.16 110.258 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -61.72 139.52 58.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 1.02 111.505 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.05 172.06 12.76 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.448 -0.882 . . . . 0.24 112.169 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -97.51 142.14 29.71 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.818 -1.178 . . . . 2.15 107.818 178.028 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 99.6 m-85 -126.28 139.2 53.5 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.753 -0.379 . . . . 2.2 110.959 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -122.85 142.92 50.24 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.355 -0.839 . . . . 1.41 108.951 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.73 129.96 17.16 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.732 0.645 . . . . 2.7 111.04 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -123.52 -55.24 1.74 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.958 -0.564 . . . . 1.46 110.537 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.5 m -148.69 164.97 32.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.258 -0.428 . . . . 1.28 110.708 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.87 159.3 44.64 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.475 -0.565 . . . . 1.72 109.475 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 4.9 tt0 -145.87 138.72 25.81 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.957 -0.565 . . . . 1.44 110.031 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 58.76 41.41 21.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.903 -1.044 . . . . 1.16 111.586 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.64 -57.8 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.031 -0.268 . . . . 2.27 111.322 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -60.87 -38.31 85.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.751 0.31 . . . . 1.3 111.727 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -40.71 94.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.344 0.592 . . . . 1.46 110.285 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.426 ' O ' HG12 ' A' ' 21' ' ' ILE . 73.2 t80 -64.54 -51.35 63.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.256 -0.884 . . . . 2.15 110.654 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.42 -37.83 81.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.648 . . . . 1.08 111.789 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 2.0 mmpt? -67.03 -32.38 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.676 -0.41 . . . . 1.67 110.295 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -73.43 -53.81 9.78 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.928 -0.578 . . . . 1.53 111.488 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 17' ' ' PHE . 19.7 pt -68.69 -3.81 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.861 -0.609 . . . . 1.06 111.235 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.77 39.1 93.5 Favored Glycine 0 C--O 1.237 0.304 0 C-N-CA 121.269 -0.491 . . . . 0.42 113.267 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.465 HD23 HG12 ' A' ' 28' ' ' ILE . 16.8 tp -73.42 134.83 79.33 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.134 -0.321 . . . . 1.11 110.134 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.419 ' HD2' HD11 ' A' ' 23' ' ' LEU . 30.5 Cg_endo -66.68 141.89 61.87 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.234 1.956 . . . . 0.4 111.41 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.25 -37.58 62.22 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.116 -0.493 . . . . 1.12 111.68 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -54.7 -40.29 69.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.447 -0.797 . . . . 2.03 111.056 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -88.56 -32.44 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.587 -0.278 . . . . 1.47 110.936 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.465 HG12 HD23 ' A' ' 23' ' ' LEU . 79.9 mt -57.28 -61.25 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.498 . . . . 1.13 111.378 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.4 -29.35 68.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.838 -0.619 . . . . 1.73 111.117 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.46 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 11.1 tpt -67.66 -40.34 84.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.791 -0.64 . . . . 1.63 110.461 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.45 25.06 28.76 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.709 -0.757 . . . . 0.51 113.157 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -125.06 145.8 49.74 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 122.218 -0.578 . . . . 2.94 110.58 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 57.88 27.03 14.03 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.585 -0.734 . . . . 2.14 111.102 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -106.93 156.39 18.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.082 -0.508 . . . . 1.22 110.6 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 84.69 7.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.44 0.638 . . . . 3.03 111.464 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mm -82.12 122.69 37.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.653 -0.703 . . . . 1.4 110.118 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 2.8 t -103.94 125.06 58.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.958 -0.386 . . . . 1.11 109.958 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.765 ' HA ' ' O ' ' A' ' 50' ' ' THR . 18.7 m -115.34 110.18 19.0 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.193 -0.458 . . . . 1.05 111.189 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.31 110.63 23.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.967 0.413 . . . . 1.39 110.243 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.59 126.75 65.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.58 -0.737 . . . . 1.03 111.047 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.585 HG13 ' OG1' ' A' ' 48' ' ' THR . 7.1 p -113.92 136.99 48.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.48 -0.563 . . . . 1.56 109.48 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -85.28 112.54 20.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.281 0.563 . . . . 2.06 111.455 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -125.92 74.08 1.4 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.611 -0.722 . . . . 2.31 109.915 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.34 -102.89 1.0 Allowed Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.448 -1.061 . . . . 0.42 110.448 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.79 9.76 11.44 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.053 -0.721 . . . . 0.51 109.053 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -103.45 109.09 20.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.604 -1.18 . . . . 1.36 109.448 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.38 130.48 54.19 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.003 0.43 . . . . 1.66 110.449 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.585 ' OG1' HG13 ' A' ' 41' ' ' VAL . 77.9 p -91.48 121.0 32.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.197 -0.456 . . . . 1.34 110.803 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.548 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -100.47 100.45 11.21 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.303 -0.999 . . . . 0.48 108.303 178.571 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.765 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.8 m -106.78 117.82 35.06 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.937 -0.574 . . . . 1.1 110.596 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -112.06 119.04 37.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.968 0.414 . . . . 1.62 110.634 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -102.17 127.7 48.98 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.894 -0.594 . . . . 0.46 110.582 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.499 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.5 t80 -101.6 125.83 36.15 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.45 -0.795 . . . . 2.11 110.313 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.499 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.1 Cg_endo -61.7 115.38 2.75 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.742 2.295 . . . . 0.51 112.032 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.0 18.1 64.14 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.716 -0.674 . . . . 0.52 112.851 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.13 -169.66 11.95 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.643 -0.789 . . . . 0.41 112.882 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.46 142.13 46.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.952 0.406 . . . . 3.97 111.798 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 t -88.54 157.03 18.75 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.554 -0.535 . . . . 1.07 109.554 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.4 m -140.0 118.8 12.45 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.43 -0.35 . . . . 1.11 110.12 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 m -127.07 128.72 46.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.02 0.438 . . . . 1.04 111.751 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.548 ' ND2' ' HB3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -139.01 115.73 10.71 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.569 -0.741 . . . . 2.22 109.565 177.556 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.1 m -98.06 146.9 25.08 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.241 -0.89 . . . . 1.32 109.784 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -146.61 148.85 32.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.192 0.52 . . . . 1.55 112.228 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.43 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 39.9 m -113.53 129.26 56.59 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.421 -0.808 . . . . 1.03 109.588 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.5 mm -55.75 125.25 10.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.648 -0.251 . . . . 1.05 110.908 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t0 76.24 22.19 1.36 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 124.188 0.93 . . . . 1.1 110.455 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' HE3' ' O ' ' A' ' 68' ' ' GLU . 38.2 tptt -138.1 141.58 40.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.579 -0.737 . . . . 2.09 110.152 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.471 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -70.56 134.37 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.767 -0.827 . . . . 2.55 108.767 177.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.82 152.99 46.22 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.555 0.576 . . . . 1.04 112.555 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.26 118.33 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.235 -0.893 . . . . 1.95 109.619 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.551 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 6.6 mtt -122.82 168.73 11.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.213 0.53 . . . . 1.01 112.019 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.541 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 16.8 tt0 -155.94 142.58 18.71 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.373 -0.973 . . . . 1.47 108.373 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 p -97.84 170.75 8.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.912 -0.403 . . . . 1.03 109.912 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.9 mtt -73.55 -14.39 61.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.335 -0.393 . . . . 1.64 110.075 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.02 -19.71 69.34 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.795 -0.639 . . . . 0.48 111.615 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.65 38.86 2.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.107 -0.568 . . . . 0.48 112.598 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.9 mtp180 -103.51 127.32 50.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.785 -0.244 . . . . 1.1 110.894 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -101.29 122.89 44.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.965 -0.754 . . . . 2.27 108.965 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 53.4 p90 -161.67 172.3 16.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 2.02 112.274 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -139.45 138.47 36.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.162 -0.926 . . . . 3.12 109.682 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.79 162.78 37.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.048 -0.523 . . . . 1.05 111.244 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.2 138.86 33.2 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.262 -0.427 . . . . 1.01 109.955 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.75 140.02 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 116.185 -0.461 . . . . 1.11 109.934 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -134.68 178.47 6.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.662 -0.496 . . . . 1.79 109.662 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 mtt -128.45 135.39 49.41 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.624 0.249 . . . . 1.02 110.906 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -130.69 103.42 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.237 -0.438 . . . . 2.67 110.585 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.52 42.95 99.65 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.056 -0.592 . . . . 0.6 112.954 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.47 19.6 76.05 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.072 -0.585 . . . . 0.42 112.985 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.461 ' HZ2' ' CD ' ' A' ' 102' ' ' GLU . 7.0 mtpp -123.53 126.91 47.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.518 -0.549 . . . . 2.39 109.518 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 mt -81.53 114.78 23.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.506 -0.553 . . . . 1.03 109.506 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.5 p -116.06 136.13 53.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.231 0.539 . . . . 1.08 111.547 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.14 147.92 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.721 -0.672 . . . . 1.03 110.452 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -106.69 123.31 47.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.989 0.424 . . . . 1.19 111.326 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.428 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 68.0 m-85 -142.7 152.92 60.73 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.78 -0.645 . . . . 2.2 110.792 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.73 113.99 3.38 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.32 2.013 . . . . 0.42 111.442 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 63.08 20.24 12.16 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.954 -0.566 . . . . 1.9 110.695 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.428 ' HB3' ' CB ' ' A' ' 94' ' ' PHE . 6.5 t80 -142.65 128.57 19.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.12 0.486 . . . . 2.24 109.936 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.542 ' O ' ' HA ' ' A' ' 112' ' ' SER . 8.3 t60 -125.84 114.5 18.65 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.408 -0.59 . . . . 1.37 109.408 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.451 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 8.7 t60 -116.39 119.7 36.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.868 0.366 . . . . 0.92 111.27 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.9 p -125.94 131.34 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 1.03 110.015 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.32 140.86 49.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.332 -0.394 . . . . 1.09 110.374 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.461 ' CD ' ' HZ2' ' A' ' 89' ' ' LYS . 5.8 pt-20 -160.79 171.7 18.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.919 0.39 . . . . 1.38 110.881 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.0 mm -112.17 116.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.783 -0.644 . . . . 1.13 110.219 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 p -112.45 96.48 6.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.458 -0.337 . . . . 1.86 110.753 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.5 32.99 64.23 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.939 -0.648 . . . . 0.96 112.562 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.3 12.27 70.64 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.401 -0.904 . . . . 0.62 112.763 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -122.31 139.24 54.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.858 0.361 . . . . 1.8 110.481 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.465 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.0 tm? -84.66 124.91 32.01 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.856 -0.611 . . . . 1.49 109.49 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -129.56 122.24 54.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 116.06 -0.518 . . . . 1.1 110.199 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -108.57 129.94 55.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.584 -0.735 . . . . 1.69 110.197 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.466 ' HA ' ' O ' ' A' ' 119' ' ' TYR . 5.0 mp -111.73 132.41 60.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.919 -0.582 . . . . 1.14 109.479 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.542 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.3 m -130.17 108.4 10.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.149 -0.478 . . . . 0.6 110.676 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.74 130.78 36.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.39 -0.368 . . . . 1.03 111.089 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.5 p -134.87 103.65 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.223 -0.444 . . . . 1.92 110.809 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.7 m 56.33 25.17 9.1 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.994 -0.548 . . . . 1.17 112.265 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 118.19 -32.5 5.24 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.649 -0.786 . . . . 0.52 112.89 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.59 119.93 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 117.048 0.424 . . . . 1.24 110.747 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.8 t -96.39 107.15 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.988 -0.551 . . . . 1.61 110.786 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 111' ' ' ILE . 46.1 t80 -90.79 142.83 27.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.761 -0.654 . . . . 2.13 109.893 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 1.9 mttt -137.1 142.48 42.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.799 0.333 . . . . 1.77 110.898 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.97 121.84 12.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.527 -0.545 . . . . 3.06 109.527 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 23.9 m -104.52 132.23 51.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.069 -0.514 . . . . 1.13 111.257 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.4 m -124.89 136.94 54.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.837 -0.619 . . . . 0.67 109.726 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 5.9 pttm -79.23 155.61 28.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.414 -0.357 . . . . 2.01 110.238 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.5 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -100.22 121.21 41.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 2.1 110.717 -179.781 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.72 167.59 17.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.442 -0.799 . . . . 1.13 109.06 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.19 -0.91 . . . . 1.27 109.558 178.059 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.603 0.239 . . . . 2.16 110.504 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 141.54 55.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.139 0.495 . . . . 1.02 111.906 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.22 167.99 12.34 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.147 -1.025 . . . . 0.24 111.947 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.4 OUTLIER -94.47 144.02 25.92 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.344 -0.984 . . . . 2.15 108.344 178.281 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.563 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 94.7 m-85 -126.36 138.02 53.52 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.473 -0.331 . . . . 2.2 110.309 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -126.35 146.26 50.12 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.979 -0.555 . . . . 1.41 110.055 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -45.59 130.19 8.86 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.267 0.979 . . . . 2.7 112.251 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -127.41 -46.52 1.47 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.222 -0.899 . . . . 1.46 109.484 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -156.01 166.09 34.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 1.28 110.474 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -148.47 163.45 37.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.277 -0.638 . . . . 1.72 109.277 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -152.93 135.25 15.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.148 0.499 . . . . 1.44 110.531 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 60.3 31.2 20.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.698 -1.137 . . . . 1.16 112.046 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -63.74 -56.47 15.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.831 0.348 . . . . 2.27 111.179 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.405 ' HA ' HG23 ' A' ' 18' ' ' VAL . 3.1 m-20 -61.47 -37.17 82.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.165 -0.47 . . . . 1.3 111.288 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -36.91 84.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.117 -0.492 . . . . 1.46 110.697 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.499 ' O ' HG12 ' A' ' 21' ' ' ILE . 40.8 t80 -69.35 -52.42 27.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.517 -0.765 . . . . 2.15 110.939 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 15' ' ' ASP . 34.2 m -61.04 -37.41 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.882 -0.599 . . . . 1.08 111.454 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -72.73 -23.73 60.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.864 0.364 . . . . 1.67 110.823 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -80.59 -47.91 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 1.53 111.078 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 17' ' ' PHE . 30.2 pt -73.34 -16.7 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.457 -0.338 . . . . 1.06 111.837 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.71 30.56 23.59 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.645 -0.788 . . . . 0.42 112.697 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD21 HG12 ' A' ' 28' ' ' ILE . 16.9 tp -61.82 136.08 94.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.206 -0.294 . . . . 1.11 110.206 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.25 140.69 65.61 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.498 2.132 . . . . 0.4 111.804 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.74 -35.76 66.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.118 -0.492 . . . . 1.12 111.346 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -40.91 76.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.538 -0.755 . . . . 2.03 110.955 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -88.95 -33.7 17.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 1.47 110.885 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.442 HG12 HD21 ' A' ' 23' ' ' LEU . 46.3 mt -55.52 -55.33 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 N-CA-C 109.814 -0.439 . . . . 1.13 109.814 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.42 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 5.4 mm-40 -62.6 -36.14 81.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.396 -0.82 . . . . 1.73 110.745 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.415 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 7.7 tpt -64.05 -36.38 83.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.511 -0.768 . . . . 1.63 111.201 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.95 30.37 7.46 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.615 -0.802 . . . . 0.51 113.711 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' HD2' ' OE1' ' A' ' 29' ' ' GLU . 5.2 mtt180 -90.3 105.29 17.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.491 0.646 . . . . 2.94 111.777 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.42 24.74 11.97 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.337 -0.847 . . . . 2.14 112.217 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.0 m -80.45 145.65 31.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.18 -0.464 . . . . 1.22 109.999 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 7.3 ptpt -75.83 93.28 3.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.808 0.67 . . . . 3.03 112.808 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 mm -87.24 129.81 38.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.848 -0.615 . . . . 1.4 110.087 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 51' ' ' GLN . 4.4 t -102.31 134.78 42.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.567 -0.531 . . . . 1.11 109.567 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.523 HG23 ' OE1' ' A' ' 51' ' ' GLN . 38.1 m -119.86 108.3 14.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.372 -0.376 . . . . 1.05 110.348 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.457 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 27.6 mt-10 -97.49 115.78 28.45 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.124 -0.324 . . . . 1.39 110.124 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 48' ' ' THR . 54.5 t -111.72 129.28 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.888 -0.596 . . . . 1.03 112.033 -178.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.4 t -118.9 133.36 66.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.264 -1.013 . . . . 1.56 108.264 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.79 119.46 39.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.755 0.65 . . . . 2.06 112.755 -177.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -134.35 74.92 1.56 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.57 1.176 . . . . 2.31 109.394 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.58 -109.47 3.41 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 114.687 -1.142 . . . . 0.42 111.448 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.85 13.61 17.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.05 0.452 . . . . 0.51 109.889 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -108.72 111.73 23.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.481 -0.781 . . . . 1.36 109.73 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -108.81 138.01 45.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.298 -0.41 . . . . 1.66 110.574 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 17.2 p -101.36 139.99 36.27 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.267 -0.424 . . . . 1.34 110.651 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -121.38 100.24 6.92 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.682 -0.859 . . . . 0.48 108.682 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.457 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 8.3 m -103.99 108.97 20.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.943 -0.572 . . . . 1.1 110.566 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.523 ' OE1' HG23 ' A' ' 38' ' ' THR . 7.1 mm100 -99.35 119.19 37.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.944 -0.571 . . . . 1.62 111.176 -178.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.462 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 97.1 m-70 -106.86 120.95 43.39 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.939 -0.573 . . . . 0.46 110.571 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 4.0 t80 -90.01 129.94 44.26 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 114.905 -1.043 . . . . 2.11 109.712 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.585 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 14.7 Cg_endo -58.54 114.73 2.11 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.208 1.939 . . . . 0.51 111.928 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.39 27.04 67.11 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.897 -0.592 . . . . 0.52 111.806 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.97 -167.67 11.18 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.429 -0.891 . . . . 0.41 112.499 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.75 146.85 35.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 122.449 0.3 . . . . 3.97 111.007 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 t -98.08 160.23 14.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.678 0.275 . . . . 1.07 110.356 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.8 111.86 7.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.483 -0.326 . . . . 1.11 110.821 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.444 ' HG1' HG21 ' A' ' 50' ' ' THR . 3.0 m -105.75 129.95 53.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.947 0.403 . . . . 1.04 111.52 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -125.66 147.22 49.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.322 -0.621 . . . . 2.22 109.322 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.1 p -130.54 126.48 36.9 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.94 -0.763 . . . . 1.32 108.94 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -136.25 147.51 47.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.482 0.658 . . . . 1.55 112.151 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.465 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 96.9 m -115.71 130.65 56.93 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.321 -0.854 . . . . 1.03 108.972 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.421 HG22 ' HA ' ' A' ' 84' ' ' LYS . 47.4 mm -55.45 127.78 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.044 0.449 . . . . 1.05 111.78 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t70 70.38 24.64 4.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.229 -0.896 . . . . 1.1 109.639 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 18.4 tptm -137.39 142.4 41.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.985 -1.007 . . . . 2.09 110.085 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.3 140.94 52.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.035 -0.728 . . . . 2.55 109.035 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.67 161.8 30.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.498 0.555 . . . . 1.04 112.498 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -96.38 114.03 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.933 -1.03 . . . . 1.95 108.369 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.518 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 12.2 mtt -119.39 165.78 13.89 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.538 0.685 . . . . 1.01 111.849 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.69 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.6 tt0 -157.21 139.26 14.42 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.625 -1.17 . . . . 1.47 109.057 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 p -95.8 166.1 11.97 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.854 -0.424 . . . . 1.03 109.854 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 61.5 mtm -74.2 -1.69 21.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.235 0.541 . . . . 1.64 109.886 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.08 -12.59 61.65 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.869 -0.892 . . . . 0.48 110.869 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.95 35.89 4.39 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.115 -0.564 . . . . 0.48 112.715 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.69 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 20.1 mtp85 -111.93 117.85 33.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.692 0.246 . . . . 1.1 110.985 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.18 122.99 45.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.25 -1.018 . . . . 2.27 108.25 178.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 36.7 p90 -150.72 176.12 11.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.936 0.398 . . . . 2.02 111.675 -177.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.23 133.73 47.67 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.726 -0.67 . . . . 3.12 109.236 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.73 161.45 41.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.25 -0.432 . . . . 1.05 110.381 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.55 140.63 30.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.664 0.269 . . . . 1.01 110.443 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.72 137.57 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.638 -0.505 . . . . 1.11 109.638 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' A' ' 65' ' ' ILE . 33.3 pttt -134.79 -178.06 4.91 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.803 -0.443 . . . . 1.79 109.803 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.2 mtt -129.2 138.36 51.68 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.154 -0.218 . . . . 1.02 110.708 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 0.9 OUTLIER -120.98 76.71 1.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.197 0.523 . . . . 2.67 111.275 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.81 49.06 9.22 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.701 -0.761 . . . . 0.6 113.294 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.4 5.94 88.16 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.927 -0.654 . . . . 0.42 112.871 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -118.3 125.06 49.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.963 -0.754 . . . . 2.39 108.963 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.8 mt -79.7 120.97 32.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.796 -0.362 . . . . 1.03 110.733 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.4 HG13 ' HG3' ' A' ' 84' ' ' LYS . 6.6 p -120.4 131.67 72.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.225 0.536 . . . . 1.08 110.357 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.4 149.49 26.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.041 -0.527 . . . . 1.03 111.097 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -99.47 120.25 39.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 1.19 111.004 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.48 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 78.5 m-85 -148.68 151.05 34.85 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.297 -0.41 . . . . 2.2 110.467 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.94 116.11 4.6 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.574 2.182 . . . . 0.42 111.489 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 114' ' ' SER . 65.5 t30 64.46 20.5 12.18 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.508 0.67 . . . . 1.9 110.037 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.1 t80 -143.61 119.23 10.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.705 -0.68 . . . . 2.24 110.748 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 112' ' ' SER . 17.0 t60 -118.57 103.82 10.08 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.663 -0.865 . . . . 1.37 108.663 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -109.77 120.2 41.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.626 -0.261 . . . . 0.92 110.939 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.0 p -126.39 150.69 48.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.897 -0.592 . . . . 1.03 111.199 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.12 135.31 46.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.731 -0.668 . . . . 1.09 109.976 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -154.12 173.58 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.02 0.438 . . . . 1.38 110.73 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 mm -110.17 124.54 67.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.503 -0.771 . . . . 1.13 109.596 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.2 m -133.5 102.83 5.66 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.038 -0.528 . . . . 1.86 109.949 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.35 36.66 49.51 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.747 -0.661 . . . . 0.96 111.982 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.72 20.01 77.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.84 -0.695 . . . . 0.62 111.592 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -127.45 149.32 50.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.9 0.381 . . . . 1.8 110.682 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.9 tm? -90.9 120.85 32.25 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.733 -0.667 . . . . 1.49 109.242 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.4 p -123.13 113.92 39.87 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.449 0.642 . . . . 1.1 110.145 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -98.29 136.34 38.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.567 -0.742 . . . . 1.69 109.885 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.58 123.41 71.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.836 -0.62 . . . . 1.14 109.602 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.4 m -123.68 122.73 38.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.153 -0.476 . . . . 0.6 109.731 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.569 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -113.06 136.62 52.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.557 -0.292 . . . . 1.03 111.771 -179.594 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 50.3 m -149.88 112.36 4.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.913 -0.585 . . . . 1.92 110.503 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 57.8 m 57.7 39.68 27.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.398 -0.819 . . . . 1.17 112.228 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.43 -29.0 10.94 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.876 -0.678 . . . . 0.52 114.309 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.1 t -77.25 125.6 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.542 0.671 . . . . 1.24 111.283 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.2 t -103.89 111.01 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.684 -0.689 . . . . 1.61 110.597 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.464 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 5.0 t80 -100.36 131.86 46.05 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.624 -0.716 . . . . 2.13 109.553 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -130.34 150.7 51.45 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 120.914 0.388 . . . . 1.77 111.125 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 121' ' ' ARG . 15.5 ptt-85 -145.33 131.21 19.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.107 -0.497 . . . . 3.06 110.163 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.6 m -104.24 125.29 50.39 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.704 -0.68 . . . . 1.13 110.698 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.9 m -123.89 137.38 54.65 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.894 -0.41 . . . . 0.67 109.894 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.563 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 12.7 pttm -80.61 159.0 25.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.404 -0.362 . . . . 2.01 111.208 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.498 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -99.02 121.48 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.077 0.465 . . . . 2.1 110.12 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.559 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -141.75 168.23 15.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.581 -0.736 . . . . 1.13 109.548 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.373 -0.822 . . . . 1.27 109.732 178.696 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--O 1.228 -0.079 0 N-CA-C 111.435 0.161 . . . . 2.16 111.435 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.26 142.92 50.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.147 0.498 . . . . 1.02 112.336 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.498 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 128.28 174.3 13.7 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.756 -0.735 . . . . 0.24 112.294 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.06 145.05 25.79 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.919 -0.771 . . . . 2.15 108.919 178.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 98.1 m-85 -127.28 145.54 50.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.699 0.285 . . . . 2.2 110.358 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -134.8 156.13 49.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.793 -0.64 . . . . 1.41 109.515 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -49.04 129.38 17.54 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.7 0.625 . . . . 2.7 111.392 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 122' ' ' THR . 8.8 tp10 -126.6 -56.06 1.4 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.75 -0.659 . . . . 1.46 110.03 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.3 m -148.24 164.41 34.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.398 -0.819 . . . . 1.28 109.738 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.578 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 12.7 t70 -153.86 156.01 36.81 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.424 -0.584 . . . . 1.72 109.424 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 60.8 tt0 -151.48 134.52 15.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.205 0.526 . . . . 1.44 111.531 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 60.69 41.66 14.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.797 -1.092 . . . . 1.16 111.987 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.578 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 18.2 t80 -69.55 -59.0 3.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.465 -0.334 . . . . 2.27 111.467 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.405 ' HA ' HG23 ' A' ' 18' ' ' VAL . 5.1 m-20 -57.92 -46.27 85.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.3 111.463 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.92 -42.34 75.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.288 0.566 . . . . 1.46 110.927 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -66.17 -56.66 10.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.124 -0.944 . . . . 2.15 111.378 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 15' ' ' ASP . 35.3 m -60.8 -34.36 58.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.709 -0.678 . . . . 1.08 112.424 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -71.27 -27.57 63.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.679 0.276 . . . . 1.67 111.024 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.21 -39.57 25.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 1.53 111.861 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 pt -79.97 -6.06 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.042 0.449 . . . . 1.06 111.388 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.63 35.91 34.94 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.995 -0.621 . . . . 0.42 113.484 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 28' ' ' ILE . 22.7 tp -70.91 132.81 86.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.228 -0.656 . . . . 1.11 109.228 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.34 138.75 56.83 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.974 1.783 . . . . 0.4 111.194 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.3 -32.47 62.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.112 -0.495 . . . . 1.12 111.377 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -41.85 78.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.442 -0.799 . . . . 2.03 110.442 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -88.41 -30.82 19.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.973 -0.558 . . . . 1.47 110.408 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.419 HG12 HD23 ' A' ' 23' ' ' LEU . 55.9 mt -59.55 -58.14 8.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 1.13 110.208 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 45.4 mm-40 -66.7 -18.34 65.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.796 -0.638 . . . . 1.73 110.714 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.429 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.8 tpt -85.04 -29.59 24.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.758 -0.655 . . . . 1.63 111.246 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.99 23.53 16.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.369 -0.919 . . . . 0.51 113.758 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.488 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.6 ptp180 -105.28 127.6 53.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.02 0.41 . . . . 2.94 110.485 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.33 23.49 11.95 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.563 -0.744 . . . . 2.14 111.548 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.8 m -90.05 153.58 20.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.131 -0.486 . . . . 1.22 109.985 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -85.33 93.59 8.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.352 0.596 . . . . 3.03 112.106 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.92 122.37 51.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.682 -0.69 . . . . 1.4 109.62 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.4 t -94.39 126.68 46.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.294 -0.412 . . . . 1.11 110.952 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.688 ' HA ' ' O ' ' A' ' 50' ' ' THR . 28.5 m -110.58 107.31 16.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.351 -0.386 . . . . 1.05 110.129 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -96.33 110.92 23.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.191 -0.3 . . . . 1.39 110.191 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 48' ' ' THR . 69.6 t -103.75 124.74 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.023 -0.535 . . . . 1.03 111.959 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.524 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 94.2 t -111.27 127.13 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.611 -0.885 . . . . 1.56 108.611 178.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -95.78 135.29 37.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.249 0.547 . . . . 2.06 112.082 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -152.0 86.83 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.218 -0.901 . . . . 2.31 109.577 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.6 -96.9 0.45 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.979 -0.629 . . . . 0.42 111.979 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.3 8.72 10.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.513 -0.551 . . . . 0.51 109.513 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -101.97 120.46 40.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.505 -0.77 . . . . 1.36 110.783 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -120.67 127.42 52.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.907 -0.588 . . . . 1.66 109.629 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -94.54 126.39 39.79 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.106 -0.497 . . . . 1.34 111.742 -179.667 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.96 101.16 10.94 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.292 -1.003 . . . . 0.48 108.292 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.688 ' O ' ' HA ' ' A' ' 38' ' ' THR . 7.3 m -109.74 110.22 21.16 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.19 -0.459 . . . . 1.1 110.4 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -104.31 117.76 34.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.302 0.572 . . . . 1.62 110.876 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -101.24 131.31 47.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.424 -0.807 . . . . 0.46 110.759 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.429 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 5.7 t80 -107.59 132.94 20.62 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-N 116.043 -0.526 . . . . 2.11 109.729 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.15 111.96 1.93 Allowed 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 121.829 1.686 . . . . 0.51 111.597 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.59 24.28 70.98 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 115.925 -0.58 . . . . 0.52 113.631 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.52 -166.76 10.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.326 -0.94 . . . . 0.41 112.789 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 150.32 49.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.534 0.207 . . . . 3.97 110.977 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.5 t -108.78 149.23 29.36 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.243 -0.651 . . . . 1.07 109.243 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.8 m -127.34 111.73 14.22 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.981 0.419 . . . . 1.11 109.903 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -119.93 115.23 23.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.161 -0.472 . . . . 1.04 111.448 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -122.96 131.02 53.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.408 0.623 . . . . 2.22 110.355 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -109.17 123.78 49.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.236 -0.893 . . . . 1.32 109.66 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -131.96 149.72 52.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.276 0.56 . . . . 1.55 111.743 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.4 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 36.5 m -120.52 130.55 54.3 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.484 -0.78 . . . . 1.03 108.902 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.9 mm -55.1 126.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.597 -0.274 . . . . 1.05 111.143 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t70 74.02 23.02 2.26 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.294 0.997 . . . . 1.1 110.121 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 32.3 tptt -137.74 140.07 40.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.229 -0.896 . . . . 2.09 110.339 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -69.25 140.91 54.51 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.436 -0.579 . . . . 2.55 109.436 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -133.34 150.57 51.85 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.331 0.493 . . . . 1.04 112.331 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' CG ' ' HZ2' ' A' ' 78' ' ' LYS . 10.3 t70 -83.99 120.07 25.67 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.223 -1.028 . . . . 1.95 108.223 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 81' ' ' ALA . 15.5 mtt -121.53 170.68 9.44 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.512 0.672 . . . . 1.01 112.014 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.629 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 6.4 tt0 -160.31 145.51 14.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.614 -1.175 . . . . 1.47 108.705 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.4 HG21 ' HB2' ' A' ' 77' ' ' ARG . 26.7 p -89.58 -178.46 5.56 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.723 -0.391 . . . . 1.03 110.136 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 43.7 mtt -82.19 -11.36 58.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.929 -0.767 . . . . 1.64 108.929 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.59 -15.6 58.1 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.39 -0.823 . . . . 0.48 111.417 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.67 61.0 0.92 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.023 -0.608 . . . . 0.48 112.753 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.629 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 15.4 mtp180 -122.67 124.95 44.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.297 -0.261 . . . . 1.1 110.297 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.451 ' HZ2' ' CG ' ' A' ' 70' ' ' ASP . 22.8 mmmt -93.69 122.85 36.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.866 0.365 . . . . 2.27 110.845 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 47.3 p90 -160.28 168.53 25.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 2.02 110.498 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -132.37 144.49 50.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.211 -0.449 . . . . 3.12 109.837 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.473 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -148.0 162.32 39.57 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.301 -0.409 . . . . 1.05 110.775 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.68 133.05 46.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.157 -0.683 . . . . 1.01 109.157 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.7 t -114.63 141.13 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 110.22 -0.289 . . . . 1.11 110.22 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.46 ' CG ' HG11 ' A' ' 91' ' ' VAL . 11.3 pttt -130.71 -179.53 5.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.856 -0.424 . . . . 1.79 109.856 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 89' ' ' LYS . 1.7 mtt -135.33 133.32 38.68 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.132 -0.227 . . . . 1.02 110.552 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -131.03 108.17 9.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.985 0.421 . . . . 2.67 110.28 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.91 88.51 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.037 -0.601 . . . . 0.6 112.849 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.54 17.4 66.29 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.51 -0.852 . . . . 0.42 112.485 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 85' ' ' MET . 69.1 mttt -116.52 126.44 53.34 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.972 -0.381 . . . . 2.39 109.972 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.2 mt -82.36 109.46 16.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.86 0.362 . . . . 1.03 110.225 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.46 HG11 ' CG ' ' A' ' 84' ' ' LYS . 1.5 p -111.43 130.05 65.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.976 -0.556 . . . . 1.08 111.477 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -107.94 142.39 38.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 1.03 110.78 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -99.78 120.47 39.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.284 0.564 . . . . 1.19 111.835 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -143.27 154.4 60.78 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.42 -0.809 . . . . 2.2 110.264 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -72.39 114.26 3.95 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.243 1.962 . . . . 0.42 111.638 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.543 ' O ' ' HA ' ' A' ' 114' ' ' SER . 66.9 t30 70.93 -0.44 3.04 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.307 0.643 . . . . 1.9 111.45 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 113' ' ' THR . 4.0 t80 -122.55 127.57 49.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.164 -0.471 . . . . 2.24 109.786 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.488 ' O ' ' HA ' ' A' ' 112' ' ' SER . 40.8 t60 -124.55 113.52 18.19 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.061 -0.718 . . . . 1.37 109.061 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -115.25 115.45 26.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.693 0.283 . . . . 0.92 111.307 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.425 HG23 ' HB ' ' A' ' 91' ' ' VAL . 14.4 p -123.02 128.92 50.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.127 -0.488 . . . . 1.03 110.511 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.81 137.89 51.66 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.127 -0.323 . . . . 1.09 110.127 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.465 ' O ' HD21 ' A' ' 108' ' ' LEU . 13.1 pt-20 -155.4 179.26 9.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.897 0.38 . . . . 1.38 111.294 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.427 HG23 HD12 ' A' ' 103' ' ' ILE . 45.3 mm -116.53 110.96 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 115.692 -0.686 . . . . 1.13 109.753 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 m -119.81 113.22 20.28 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.139 -0.482 . . . . 1.86 110.068 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.37 71.26 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.83 -0.7 . . . . 0.96 111.599 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.9 21.08 75.07 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.903 -0.665 . . . . 0.62 111.533 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -129.48 142.83 50.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 1.8 111.204 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.2 tm? -81.99 121.99 27.22 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.79 -0.819 . . . . 1.49 108.79 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -126.76 118.56 51.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-O 121.139 0.495 . . . . 1.1 110.14 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -101.95 133.2 47.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.645 -0.707 . . . . 1.69 109.805 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.1 mp -115.0 124.11 71.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 108.597 -0.89 . . . . 1.14 108.597 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 2.5 m -121.86 114.0 20.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.103 -0.499 . . . . 0.6 110.576 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.538 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -101.07 132.25 46.59 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.19 -0.459 . . . . 1.03 110.455 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 49.2 m -145.76 114.25 6.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.269 -0.423 . . . . 1.92 109.914 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.9 m 60.98 27.71 17.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.981 -0.554 . . . . 1.17 111.307 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.47 -14.77 64.47 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.978 -0.63 . . . . 0.52 112.432 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 113' ' ' THR . 47.1 t -80.54 122.65 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.928 -0.397 . . . . 1.24 109.928 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 38.7 t -100.01 119.41 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.038 0.447 . . . . 1.61 110.94 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -106.46 130.08 54.32 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.493 -0.776 . . . . 2.13 109.419 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 54.8 mttt -123.08 142.6 50.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.034 0.445 . . . . 1.77 111.182 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 1.3 ptp180 -143.77 133.58 23.88 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.045 -0.525 . . . . 3.06 109.952 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 1.8 m -112.31 130.11 56.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.141 -0.481 . . . . 1.13 110.543 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.5 m -125.26 133.13 52.78 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.754 -0.657 . . . . 0.67 110.029 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 7.5 pttm -80.64 154.33 27.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.388 -0.369 . . . . 2.01 110.325 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.498 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -100.69 119.29 38.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.197 -0.456 . . . . 2.1 110.219 -179.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.79 165.28 30.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.172 -0.467 . . . . 1.13 109.842 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.191 -0.909 . . . . 1.27 109.814 179.647 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 111.604 0.224 . . . . 1.69 111.604 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -76.41 -36.82 57.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.743 0.306 . . . . 2.16 110.814 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.531 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 2.0 m -58.12 127.84 34.13 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.97 0.414 . . . . 1.02 111.981 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.47 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 139.59 174.98 13.92 Favored Glycine 0 N--CA 1.438 -1.183 0 C-N-CA 120.401 -0.904 . . . . 0.24 112.333 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 141.27 28.66 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.199 -0.667 . . . . 2.15 109.199 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 66.1 m-85 -123.4 139.96 53.49 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.375 -0.375 . . . . 2.2 110.124 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -127.65 143.79 51.13 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 110.03 -0.359 . . . . 1.41 110.03 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -49.52 124.53 9.58 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.925 0.765 . . . . 2.7 111.754 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.51 -51.65 2.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.701 . . . . 1.46 110.71 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 m -151.09 169.93 20.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.94 -0.573 . . . . 1.28 111.051 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.505 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -158.1 163.76 37.31 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 110.014 -0.365 . . . . 1.72 110.014 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -147.79 138.08 22.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 1.44 109.954 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 61.34 34.81 18.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.135 -0.939 . . . . 1.16 112.195 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.505 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 10.9 t80 -61.95 -59.15 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.627 0.251 . . . . 2.27 111.295 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.431 ' HA ' HG23 ' A' ' 18' ' ' VAL . 6.8 m-20 -61.7 -39.02 89.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 1.3 111.484 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -43.21 99.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.121 0.486 . . . . 1.46 110.484 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.475 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 72.0 t80 -64.28 -53.04 55.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.468 -0.787 . . . . 2.15 110.964 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.431 HG23 ' HA ' ' A' ' 15' ' ' ASP . 35.3 m -61.22 -35.86 68.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 1.08 111.449 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -69.46 -28.46 66.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.692 0.282 . . . . 1.67 111.655 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HG3' ' CG2' ' A' ' 117' ' ' VAL . 18.2 mmmt -82.42 -46.52 13.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.629 0.252 . . . . 1.53 111.598 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 17' ' ' PHE . 30.4 pt -69.54 -9.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.429 . . . . 1.06 111.056 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.39 37.97 53.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.938 -0.649 . . . . 0.42 112.974 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.596 HD12 H152 ' A' ' 200' ' ' CHO . 16.5 tp -71.53 133.73 84.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.621 -0.511 . . . . 1.11 109.621 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -66.62 139.56 53.55 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.307 2.005 . . . . 0.4 111.603 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.22 57.29 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.97 -0.559 . . . . 1.12 111.742 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.31 -37.36 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.585 -0.734 . . . . 2.03 111.631 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HD2' H222 ' A' ' 200' ' ' CHO . 74.1 mmtt -89.03 -33.02 17.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.56 -0.291 . . . . 1.47 111.207 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -56.8 -62.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.839 -0.619 . . . . 1.13 111.875 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 4.2 mm-40 -68.28 -18.63 64.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 1.73 111.091 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.0 tpt -75.91 -42.7 48.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.796 -0.638 . . . . 1.63 109.617 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.515 ' CA ' H212 ' A' ' 200' ' ' CHO . . . -100.27 32.23 7.56 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.659 -0.701 . . . . 0.51 113.905 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HD2' ' OE1' ' A' ' 29' ' ' GLU . 9.3 ptm180 -123.36 141.15 52.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.765 0.782 . . . . 2.94 111.351 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.35 19.98 10.68 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.609 -0.723 . . . . 2.14 111.495 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.56 150.63 22.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.406 -0.361 . . . . 1.22 110.598 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 pttt -76.44 83.08 3.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.029 -0.532 . . . . 3.03 112.173 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.9 mm -80.73 123.86 37.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.513 . . . . 1.4 109.64 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 16.6 t -103.74 122.61 56.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 110.247 -0.279 . . . . 1.11 110.247 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.788 ' HA ' ' O ' ' A' ' 50' ' ' THR . 86.6 m -109.67 106.17 15.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.374 -0.376 . . . . 1.05 110.154 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -93.99 117.53 30.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.313 -0.403 . . . . 1.39 110.496 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -110.48 130.65 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.891 -0.595 . . . . 1.03 112.213 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.4 t -115.55 133.41 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.995 -0.548 . . . . 1.56 110.263 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.531 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 33.2 tp60 -83.08 111.9 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 2.06 110.635 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -130.72 73.9 1.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.462 -0.57 . . . . 2.31 109.462 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.75 -99.42 0.6 Allowed Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 111.026 -0.83 . . . . 0.42 111.026 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.04 6.81 10.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.308 -0.627 . . . . 0.51 109.308 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 37.2 t70 -100.1 108.35 20.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.846 -1.07 . . . . 1.36 109.513 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -103.09 128.49 49.97 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.19 -0.459 . . . . 1.66 109.898 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.3 p -89.4 121.29 31.5 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.179 -0.464 . . . . 1.34 111.058 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.5 OUTLIER -104.24 99.92 9.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.064 -0.717 . . . . 0.48 109.064 178.46 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.788 ' O ' ' HA ' ' A' ' 38' ' ' THR . 6.0 m -104.29 121.04 42.51 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.13 -0.486 . . . . 1.1 110.697 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -109.08 117.26 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.623 -0.51 . . . . 1.62 109.623 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -102.73 133.16 48.23 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.069 0.462 . . . . 0.46 110.115 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -112.3 120.32 41.78 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.436 -0.802 . . . . 2.11 110.017 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.01 114.29 2.24 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.609 2.206 . . . . 0.51 112.598 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.08 24.66 74.6 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.52 113.094 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.66 -165.62 11.44 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.351 -0.928 . . . . 0.41 113.066 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.81 145.79 42.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.966 0.412 . . . . 3.97 111.333 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 t -101.43 161.7 13.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.844 -0.616 . . . . 1.07 110.43 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.27 131.1 21.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.31 -0.626 . . . . 1.11 109.31 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.7 m -137.05 119.14 15.43 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.022 -0.424 . . . . 1.04 110.91 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -131.53 116.72 17.81 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.012 0.435 . . . . 2.22 110.389 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.3 m -97.16 147.57 23.95 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.936 -0.764 . . . . 1.32 108.936 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.449 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 40.8 p90 -145.11 141.78 29.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.077 0.465 . . . . 1.55 111.679 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.475 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 50.5 m -106.16 124.81 50.16 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.732 -0.84 . . . . 1.03 108.732 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.05 124.17 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.575 -0.284 . . . . 1.05 111.186 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t0 78.01 22.45 0.82 Allowed 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.249 0.968 . . . . 1.1 110.259 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 34.8 tptt -137.9 144.9 41.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.405 -0.816 . . . . 2.09 110.354 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -71.55 130.28 40.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.457 -0.571 . . . . 2.55 109.457 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -120.55 148.56 43.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.034 0.445 . . . . 1.04 111.826 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.34 119.89 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.679 -1.23 . . . . 1.95 107.679 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.564 ' SD ' H192 ' A' ' 201' ' ' CHO . 19.8 mtt -124.16 162.45 23.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.61 0.719 . . . . 1.01 112.874 -177.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 27.3 tt0 -151.84 144.63 24.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.648 -1.16 . . . . 1.47 108.775 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.688 HG23 H222 ' A' ' 201' ' ' CHO . 32.0 p -100.98 176.01 5.41 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.846 0.355 . . . . 1.03 110.34 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.71 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 39.0 mtt -77.62 -17.52 57.7 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.292 -0.413 . . . . 1.64 110.494 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.21 -6.29 88.12 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.928 -0.654 . . . . 0.48 112.15 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.79 48.85 2.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.849 -0.691 . . . . 0.48 113.11 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.607 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.8 mtp85 -113.44 122.95 48.87 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.737 -0.273 . . . . 1.1 110.618 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -100.93 122.34 43.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.989 -0.745 . . . . 2.27 108.989 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.706 ' HZ ' H182 ' A' ' 201' ' ' CHO . 48.3 p90 -162.3 175.82 11.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.2 0.524 . . . . 2.02 111.89 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.23 152.09 51.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.626 -0.715 . . . . 3.12 109.638 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -156.69 161.86 39.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.235 -0.439 . . . . 1.05 110.535 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.09 133.11 47.45 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.619 -0.512 . . . . 1.01 109.619 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.27 133.44 65.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.368 -0.378 . . . . 1.11 110.247 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -127.15 176.76 7.13 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.393 -0.595 . . . . 1.79 109.393 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.421 ' HE2' HG12 ' A' ' 90' ' ' ILE . 2.1 mtt -125.57 132.8 52.48 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.984 -0.376 . . . . 1.02 109.984 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 4.8 pt-20 -121.11 84.84 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 2.67 111.324 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.45 41.97 28.74 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.406 -0.902 . . . . 0.6 112.758 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.87 8.23 82.83 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.42 112.878 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 85' ' ' MET . 24.2 mtpt -113.26 129.77 56.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.42 -0.585 . . . . 2.39 109.42 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.441 HG23 ' CE1' ' A' ' 63' ' ' PHE . 1.5 mt -84.74 114.2 24.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 110.112 -0.329 . . . . 1.03 110.112 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 p -116.81 131.49 69.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.353 0.597 . . . . 1.08 111.556 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.695 ' HB1' ' H12' ' A' ' 201' ' ' CHO . . . -112.8 139.59 48.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.62 -0.718 . . . . 1.03 109.687 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -100.61 124.11 45.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.964 0.411 . . . . 1.19 111.368 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.525 ' CZ ' H181 ' A' ' 201' ' ' CHO . 76.6 m-85 -142.33 154.59 64.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.7 -0.682 . . . . 2.2 110.361 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -67.54 114.92 3.46 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.057 1.838 . . . . 0.42 111.668 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 114' ' ' SER . 13.1 t-20 58.9 25.26 13.46 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.436 0.636 . . . . 1.9 110.589 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.572 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.6 t80 -146.03 122.57 11.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.361 -0.836 . . . . 2.24 109.555 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.473 ' O ' ' HA ' ' A' ' 112' ' ' SER . 19.5 t60 -125.67 114.78 19.13 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.834 -0.432 . . . . 1.37 109.834 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.532 ' CD2' ' H21' ' A' ' 201' ' ' CHO . 8.3 t60 -112.97 124.89 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.165 0.291 . . . . 0.92 110.792 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.7 p -131.41 129.11 40.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 1.03 110.445 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.21 134.14 55.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.365 -0.379 . . . . 1.09 110.247 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -152.27 171.46 17.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.349 . . . . 1.38 110.733 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.9 mm -111.44 118.99 58.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.108 -0.496 . . . . 1.13 111.168 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -113.38 91.72 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.14 -0.482 . . . . 1.86 111.075 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.55 43.8 84.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.96 113.449 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.18 13.29 79.34 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.526 -0.845 . . . . 0.62 112.976 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -126.33 142.35 51.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.874 0.368 . . . . 1.8 110.318 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.525 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.8 tm? -92.53 123.47 35.86 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.593 -0.731 . . . . 1.49 109.34 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -124.8 118.5 53.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 121.368 0.604 . . . . 1.1 110.528 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -101.49 126.05 48.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.68 -0.691 . . . . 1.69 109.444 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 3.8 mp -108.86 122.74 63.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 109.458 -0.571 . . . . 1.14 109.458 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.3 m -122.95 108.94 13.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.052 -0.522 . . . . 0.6 110.61 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.572 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -94.92 131.74 40.5 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.596 -0.52 . . . . 1.03 109.596 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 5.7 t -151.8 119.34 6.05 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 120.966 0.413 . . . . 1.92 110.288 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.4 m 59.14 24.18 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.408 -0.814 . . . . 1.17 111.966 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 107.43 -28.79 11.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.52 113.391 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.539 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 67.8 t -80.31 129.83 36.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 117.173 0.486 . . . . 1.24 111.942 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.58 106.93 20.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.583 -0.735 . . . . 1.61 110.121 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -93.81 128.55 40.12 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.967 -0.56 . . . . 2.13 110.281 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -122.41 144.67 48.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.353 -0.385 . . . . 1.77 110.332 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.62 116.34 9.23 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.879 -0.6 . . . . 3.06 109.729 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.1 m -96.51 125.96 41.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.808 -0.633 . . . . 1.13 110.207 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.6 m -124.66 132.9 53.38 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.18 -0.464 . . . . 0.67 109.981 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 15.6 pttm -80.22 154.17 28.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.375 -0.375 . . . . 2.01 110.819 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.54 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -97.73 118.58 34.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.139 0.495 . . . . 2.1 109.921 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -134.33 168.52 23.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 108.607 -0.886 . . . . 1.13 108.607 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.422 -0.799 . . . . 1.27 110.249 178.318 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.878 ' HO7' ' H41' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.796 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.869 0.366 . . . . 1.69 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -93.38 -19.83 20.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 2.16 111.155 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.97 140.07 57.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.079 0.466 . . . . 1.02 112.075 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.85 166.63 11.9 Favored Glycine 0 N--CA 1.439 -1.162 0 C-N-CA 120.772 -0.728 . . . . 0.24 111.834 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -95.48 142.75 27.46 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.79 -0.819 . . . . 2.15 108.79 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.467 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 95.0 m-85 -124.75 144.08 50.44 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 121.115 -0.234 . . . . 2.2 110.864 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -118.44 156.68 28.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.059 -0.518 . . . . 1.41 110.198 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -63.5 108.99 1.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.94 -0.573 . . . . 2.7 110.649 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -102.14 -49.06 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 1.46 109.68 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -157.58 158.0 34.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.482 -0.326 . . . . 1.28 110.404 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -140.43 152.09 45.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.9 -0.778 . . . . 1.72 108.9 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -139.93 139.16 36.09 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.12 0.486 . . . . 1.44 110.876 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t30 58.72 49.6 9.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.602 -1.181 . . . . 1.16 111.559 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -75.39 -57.99 3.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.128 -0.487 . . . . 2.27 112.184 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.406 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 8.4 m-20 -56.84 -41.89 78.68 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.216 0.45 . . . . 1.3 112.216 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -38.91 88.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.403 0.62 . . . . 1.46 110.73 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.528 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 80.7 t80 -67.56 -52.78 34.66 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.336 -0.847 . . . . 2.15 110.839 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 15' ' ' ASP . 27.4 m -64.34 -38.02 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.807 -0.633 . . . . 1.08 111.804 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -69.95 -28.91 65.96 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.043 -0.263 . . . . 1.67 111.049 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -75.53 -46.13 33.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.42 -0.354 . . . . 1.53 111.343 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 pt -73.02 -14.24 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.741 0.305 . . . . 1.06 111.715 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.49 33.93 26.88 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.091 -0.576 . . . . 0.42 112.308 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' O ' HD12 ' A' ' 28' ' ' ILE . 21.0 tp -69.67 135.8 88.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.659 -0.497 . . . . 1.11 109.659 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.483 ' O ' HG13 ' A' ' 28' ' ' ILE . 26.5 Cg_endo -64.62 139.11 62.21 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.125 1.883 . . . . 0.4 111.386 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.72 -37.76 59.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.076 0.465 . . . . 1.12 111.165 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.74 -38.52 69.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.25 -0.886 . . . . 2.03 111.728 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -90.17 -31.35 17.09 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 121.139 -0.224 . . . . 1.47 110.72 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 24' ' ' PRO . 62.4 mt -57.68 -61.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.086 -0.506 . . . . 1.13 110.657 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -67.14 -24.44 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.518 -0.765 . . . . 1.73 111.339 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 tpt -74.94 -34.8 62.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.169 -0.468 . . . . 1.63 110.409 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.546 ' CA ' H212 ' A' ' 200' ' ' CHO . . . -107.61 23.69 25.7 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.5 -0.857 . . . . 0.51 113.943 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -109.26 138.51 45.52 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 117.381 0.59 . . . . 2.94 110.833 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.22 25.09 10.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.676 -0.693 . . . . 2.14 111.033 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.2 m -98.49 154.52 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.927 -0.578 . . . . 1.22 110.224 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.06 88.51 7.72 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.497 0.554 . . . . 3.03 112.497 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 mp -94.46 123.49 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.245 -0.65 . . . . 1.4 109.245 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 t -92.65 140.94 15.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.622 -0.263 . . . . 1.11 110.361 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.3 m -116.9 106.79 13.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.121 -0.491 . . . . 1.05 110.023 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 9.6 mt-10 -95.54 110.58 22.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.87 0.367 . . . . 1.39 110.555 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 48' ' ' THR . 46.5 t -110.93 124.27 67.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 1.03 111.995 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.467 HG11 ' OG1' ' A' ' 48' ' ' THR . 6.8 p -117.27 136.19 55.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.199 -1.037 . . . . 1.56 108.199 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -103.28 121.17 42.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.268 0.556 . . . . 2.06 112.408 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -126.83 79.44 1.87 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.386 -0.968 . . . . 2.31 108.386 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.86 -94.52 0.98 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.84 -0.904 . . . . 0.42 110.84 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.2 6.6 9.13 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.646 -0.501 . . . . 0.51 109.646 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 34.2 t70 -96.92 109.69 22.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.401 -0.818 . . . . 1.36 109.741 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -108.23 142.38 38.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.126 -0.694 . . . . 1.66 109.126 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.467 ' OG1' HG11 ' A' ' 41' ' ' VAL . 82.4 p -112.32 136.0 52.3 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.395 -0.522 . . . . 1.34 111.915 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.554 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.5 OUTLIER -110.77 99.6 8.5 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.634 -0.876 . . . . 0.48 108.634 177.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.644 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.8 m -105.75 118.17 35.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.053 -0.522 . . . . 1.1 110.202 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.452 ' NE2' HG23 ' A' ' 38' ' ' THR . 5.4 mp0 -105.1 117.78 34.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.996 -0.372 . . . . 1.62 109.996 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -105.95 119.63 39.69 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.963 -0.562 . . . . 0.46 110.038 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -97.01 137.41 21.28 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.454 -0.794 . . . . 2.11 110.947 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.61 113.85 2.67 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.448 2.099 . . . . 0.51 111.799 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.18 35.6 65.48 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.072 -0.585 . . . . 0.52 113.648 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.73 -164.38 11.0 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.395 -0.907 . . . . 0.41 112.841 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.52 145.96 48.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.648 0.261 . . . . 3.97 110.565 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -107.85 161.52 14.84 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.322 -0.399 . . . . 1.07 110.345 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.25 141.36 33.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.535 -0.302 . . . . 1.11 110.425 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.5 m -142.48 119.62 11.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.639 0.257 . . . . 1.04 110.97 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -126.26 122.01 34.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.347 0.594 . . . . 2.22 111.232 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.5 p -103.14 131.94 49.78 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.579 -0.737 . . . . 1.32 109.302 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.545 ' CZ ' ' H3 ' ' A' ' 201' ' ' CHO . 47.8 p90 -140.48 141.57 35.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.491 0.662 . . . . 1.55 111.969 -178.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.458 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 55.3 m -107.11 126.62 52.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.628 -0.714 . . . . 1.03 109.279 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.414 HD11 HG23 ' A' ' 65' ' ' ILE . 44.1 mm -55.15 126.8 13.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 120.674 0.273 . . . . 1.05 110.977 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.9 t70 75.83 22.06 1.54 Allowed 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.144 0.978 . . . . 1.1 110.395 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.458 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 31.0 tptt -137.12 147.28 45.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.422 -0.808 . . . . 2.09 110.259 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.5 mp0 -74.41 135.74 42.39 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.311 -0.625 . . . . 2.55 109.311 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -127.09 159.88 32.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.784 0.326 . . . . 1.04 111.508 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -101.08 121.66 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.433 -0.951 . . . . 1.95 108.433 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.624 ' SD ' H192 ' A' ' 201' ' ' CHO . 2.7 mtt -126.3 161.49 27.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.708 0.766 . . . . 1.01 112.387 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.675 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 7.6 tt0 -142.07 141.96 32.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.277 -1.329 . . . . 1.47 107.73 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.574 HG21 H162 ' A' ' 201' ' ' CHO . 51.8 p -86.73 -172.71 4.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.977 0.418 . . . . 1.03 110.814 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.76 ' HB2' ' H14' ' A' ' 200' ' ' CHO . 58.8 mtp -89.06 -6.7 56.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.99 -0.55 . . . . 1.64 109.684 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.34 -32.48 7.75 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.308 -0.717 . . . . 0.48 111.308 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.73 31.64 0.75 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.48 113.629 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.675 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 6.3 mtp180 -97.29 122.86 40.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.732 0.266 . . . . 1.1 110.61 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -100.43 122.2 42.79 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.262 -1.014 . . . . 2.27 108.262 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.77 ' HZ ' H182 ' A' ' 201' ' ' CHO . 43.3 p90 -156.71 176.87 12.16 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.758 -0.377 . . . . 2.02 111.659 -177.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.13 146.16 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.625 -0.509 . . . . 3.12 109.625 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.43 161.43 40.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.688 -0.233 . . . . 1.05 111.04 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -103.58 131.91 50.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.968 -0.382 . . . . 1.01 109.968 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.7 t -114.68 144.35 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.416 -0.357 . . . . 1.11 110.306 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -134.52 -179.49 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.625 -0.509 . . . . 1.79 109.625 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.8 mtt -131.27 134.15 46.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.486 0.184 . . . . 1.02 110.836 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -128.4 110.36 12.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 2.67 110.512 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.6 31.87 79.36 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 116.031 -0.531 . . . . 0.6 113.108 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.76 20.77 59.11 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 120.329 -0.939 . . . . 0.42 112.401 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -122.34 128.81 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.359 -0.608 . . . . 2.39 109.359 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' A' ' 100' ' ' THR . 1.7 mt -80.94 118.24 28.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.869 -0.332 . . . . 1.03 110.696 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.5 p -123.26 130.77 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.568 . . . . 1.08 110.859 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.701 ' HB1' ' H12' ' A' ' 201' ' ' CHO . . . -111.22 140.34 45.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.821 -0.627 . . . . 1.03 110.831 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -90.5 121.63 32.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.001 0.429 . . . . 1.19 111.68 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CE2' H111 ' A' ' 201' ' ' CHO . 71.0 m-85 -145.4 152.45 49.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.625 -0.716 . . . . 2.2 110.615 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.23 114.26 3.94 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.432 2.088 . . . . 0.42 111.275 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.658 ' O ' ' HA ' ' A' ' 114' ' ' SER . 2.5 m-20 64.13 19.06 11.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.921 -0.581 . . . . 1.9 111.128 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.669 ' HA ' ' O ' ' A' ' 113' ' ' THR . 5.5 t80 -139.52 123.36 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.225 -0.657 . . . . 2.24 109.225 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -121.13 103.34 8.93 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.403 -0.817 . . . . 1.37 108.969 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.741 ' CD2' ' H21' ' A' ' 201' ' ' CHO . 4.6 t60 -100.98 122.86 44.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.255 -0.43 . . . . 0.92 110.997 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.546 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 40.5 p -137.58 148.42 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 1.03 110.981 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -136.69 136.27 38.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.313 -0.403 . . . . 1.09 110.098 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -149.73 172.37 15.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 1.38 111.004 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 mm -113.49 124.17 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.496 -0.775 . . . . 1.13 110.39 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.9 t -95.28 -120.06 0.1 Allowed 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.803 -0.814 . . . . 1.86 108.803 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -80.2 61.84 4.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.469 -0.872 . . . . 0.96 111.003 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 21.59 77.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.03 -0.605 . . . . 0.62 111.806 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -130.91 146.61 52.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.032 0.444 . . . . 1.8 111.025 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.453 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.4 tm? -89.16 120.57 30.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.373 -0.831 . . . . 1.49 109.571 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 p -118.61 113.36 41.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 108.649 -0.871 . . . . 1.1 108.649 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.627 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 24.8 tt0 -96.57 137.22 35.98 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.006 -0.997 . . . . 1.69 110.304 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.89 125.03 69.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.951 -0.568 . . . . 1.14 110.77 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.1 m -124.48 114.3 19.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.847 -0.615 . . . . 0.6 109.91 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.669 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -103.01 133.38 48.24 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.291 -0.413 . . . . 1.03 110.335 179.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.658 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 0.2 OUTLIER -141.78 111.92 6.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.105 0.479 . . . . 1.92 110.463 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m 56.68 30.65 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.066 -0.97 . . . . 1.17 111.397 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.32 -35.34 5.11 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.506 -0.854 . . . . 0.52 113.159 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.91 126.04 29.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 117.1 0.45 . . . . 1.24 110.973 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.403 HG22 HG21 ' A' ' 113' ' ' THR . 21.8 t -103.32 117.17 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.982 -0.554 . . . . 1.61 111.142 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -104.4 125.25 50.44 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.127 -0.694 . . . . 2.13 109.127 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -123.78 147.29 47.67 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.078 0.466 . . . . 1.77 110.77 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.627 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -145.19 130.79 18.88 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.812 -0.631 . . . . 3.06 110.959 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.2 m -99.66 126.95 45.76 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.999 -0.546 . . . . 1.13 109.576 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 1.5 m -124.76 126.52 45.78 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.708 -0.397 . . . . 0.67 110.779 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 7.9 pttt -73.94 157.39 36.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.917 -0.583 . . . . 2.01 109.495 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -100.84 126.51 47.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.12 0.486 . . . . 2.1 111.032 -178.677 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -141.7 167.95 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.841 -0.618 . . . . 1.13 109.406 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.342 -0.837 . . . . 1.27 110.199 178.488 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.965 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.965 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.529 0.204 . . . . 1.69 110.752 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -62.5 -41.47 98.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.984 0.364 . . . . 2.16 111.984 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.536 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.4 m -55.2 142.8 29.85 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.283 0.563 . . . . 1.02 112.305 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.98 174.91 15.07 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.493 -0.86 . . . . 0.24 111.996 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -99.13 143.3 29.56 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.918 -0.771 . . . . 2.15 108.918 178.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.631 ' CE2' ' HB2' ' A' ' 108' ' ' LEU . 63.1 m-85 -125.75 142.64 51.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.635 -0.257 . . . . 2.2 110.586 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -119.51 141.83 48.85 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.45 -0.204 . . . . 1.41 110.45 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -48.97 118.02 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.941 0.775 . . . . 2.7 111.431 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -110.44 -50.34 2.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.054 -0.521 . . . . 1.46 111.1 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.9 m -151.03 167.77 26.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.319 . . . . 1.28 111.506 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -151.96 159.02 43.89 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.811 -0.631 . . . . 1.72 109.779 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -144.43 138.49 27.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.908 -0.587 . . . . 1.44 110.295 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 60.17 34.77 21.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.936 -1.029 . . . . 1.16 112.266 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.11 -61.5 2.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.44 . . . . 2.27 111.08 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.99 -42.29 79.98 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.078 -0.51 . . . . 1.3 111.742 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -47.73 83.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.098 0.475 . . . . 1.46 110.645 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.449 ' CG ' ' HB2' ' A' ' 119' ' ' TYR . 64.4 t80 -62.65 -53.23 57.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.564 -0.744 . . . . 2.15 111.43 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.2 m -59.78 -39.6 80.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 1.08 111.637 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -72.55 -24.31 61.11 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.832 0.349 . . . . 1.67 110.898 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -81.7 -45.75 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.445 . . . . 1.53 111.602 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.61 -17.56 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 111.782 0.29 . . . . 1.06 111.782 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.92 28.49 11.97 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.183 -1.008 . . . . 0.42 112.971 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.736 HD13 H152 ' A' ' 200' ' ' CHO . 15.0 tp -69.83 132.46 88.79 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.694 -0.484 . . . . 1.11 109.694 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.445 ' O ' HG13 ' A' ' 28' ' ' ILE . 30.6 Cg_endo -66.76 140.26 55.31 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.108 1.872 . . . . 0.4 111.767 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.1 -32.99 56.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.234 -0.439 . . . . 1.12 111.647 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -41.32 85.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.639 -0.709 . . . . 2.03 110.481 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -88.72 -31.22 18.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.671 -0.695 . . . . 1.47 110.892 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 24' ' ' PRO . 57.3 mt -56.81 -56.65 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 1.13 111.218 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 4.1 mm-40 -71.15 -20.3 62.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.948 -0.569 . . . . 1.73 110.979 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.453 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 8.8 tpt -77.49 -37.43 51.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.712 -0.676 . . . . 1.63 110.632 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.541 ' HA3' H121 ' A' ' 200' ' ' CHO . . . -104.42 27.87 17.41 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.837 -0.697 . . . . 0.51 113.884 -178.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HD2' ' HA ' ' A' ' 29' ' ' GLU . 11.3 ptm180 -111.98 136.91 50.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.462 0.631 . . . . 2.94 110.507 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.25 21.19 10.61 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.674 -0.694 . . . . 2.14 110.738 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.5 m -92.04 137.15 32.6 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.798 -0.637 . . . . 1.22 110.358 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 81.26 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.651 . . . . 3.03 111.937 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.7 mm -77.53 128.06 38.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.924 -0.58 . . . . 1.4 110.031 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.44 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 5.2 t -101.82 120.72 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.018 -0.364 . . . . 1.11 110.018 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.674 ' HA ' ' O ' ' A' ' 50' ' ' THR . 25.9 m -103.37 105.42 15.68 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.055 -0.521 . . . . 1.05 110.076 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -97.98 117.79 33.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.822 0.344 . . . . 1.39 110.644 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.61 124.16 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.472 -0.786 . . . . 1.03 112.023 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -110.72 121.27 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 1.56 109.279 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.536 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 0.2 OUTLIER -84.01 119.09 24.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.948 0.404 . . . . 2.06 111.334 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -139.71 76.43 1.56 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.976 -0.557 . . . . 2.31 109.885 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.59 -95.5 0.79 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.759 -0.655 . . . . 0.42 111.776 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.71 2.42 8.2 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.071 0.462 . . . . 0.51 110.131 178.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 27.0 t70 -99.66 110.04 22.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 1.36 109.745 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.04 130.95 55.49 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.509 -0.552 . . . . 1.66 109.509 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.95 122.36 37.52 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 116.051 -0.522 . . . . 1.34 111.276 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -101.71 100.87 11.29 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.751 -0.833 . . . . 0.48 108.751 178.525 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.674 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.9 m -101.29 127.1 48.05 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.85 -0.614 . . . . 1.1 110.405 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -114.31 116.24 28.65 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.594 -0.521 . . . . 1.62 109.594 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.44 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 84.3 m-70 -103.1 121.63 43.02 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.058 -0.519 . . . . 0.46 110.904 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 6.1 t80 -99.04 126.09 39.46 Favored Pre-proline 0 N--CA 1.441 -0.918 0 CA-C-N 115.499 -0.773 . . . . 2.11 109.298 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.94 112.23 1.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.092 1.861 . . . . 0.51 112.132 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.41 29.98 76.52 Favored Glycine 0 CA--C 1.522 0.473 0 CA-C-N 116.137 -0.483 . . . . 0.52 113.044 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.45 -166.02 12.24 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.013 -1.089 . . . . 0.41 113.701 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.87 147.66 51.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 3.97 111.312 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -105.78 156.86 17.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.178 -0.465 . . . . 1.07 110.342 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.66 113.65 11.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.485 -0.561 . . . . 1.11 109.485 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -125.4 115.85 20.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.944 0.402 . . . . 1.04 111.688 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -121.2 135.8 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.342 0.591 . . . . 2.22 110.019 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.6 p -111.67 128.02 55.94 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.298 -0.865 . . . . 1.32 109.252 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -136.67 139.55 42.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.199 0.523 . . . . 1.55 112.253 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 46' ' ' ASP . 18.4 m -107.05 131.75 53.74 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.911 -0.774 . . . . 1.03 108.911 178.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.7 mm -53.86 128.8 14.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 120.879 0.371 . . . . 1.05 111.313 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 70.21 27.62 4.12 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.361 -0.836 . . . . 1.1 109.943 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 64' ' ' THR . 11.8 tppt? -136.92 147.99 46.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.465 -0.789 . . . . 2.09 110.743 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -75.06 124.99 27.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.556 -0.905 . . . . 2.55 108.556 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -117.51 150.77 38.39 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.7 0.629 . . . . 1.04 112.7 -178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.439 ' CG ' ' HZ1' ' A' ' 80' ' ' LYS . 9.6 t0 -83.45 121.2 26.87 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 107.695 -1.224 . . . . 1.95 107.695 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.584 ' SD ' ' HB1' ' A' ' 81' ' ' ALA . 41.7 mtt -125.55 164.41 20.58 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.934 0.716 . . . . 1.01 112.934 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.606 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 12.0 tt0 -159.93 138.86 10.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.701 -1.136 . . . . 1.47 109.038 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.514 HG23 H162 ' A' ' 201' ' ' CHO . 29.8 p -87.45 173.39 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.937 0.398 . . . . 1.03 110.104 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.713 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 7.2 ttm -78.76 -7.87 58.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.522 -0.548 . . . . 1.64 109.522 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.09 -19.09 54.45 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.722 -0.672 . . . . 0.48 111.691 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.29 22.46 6.15 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.914 -0.66 . . . . 0.48 113.366 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.606 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.1 mtp85 -94.08 120.77 34.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.517 0.658 . . . . 1.1 110.413 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.78 129.91 45.94 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.119 -0.697 . . . . 2.27 109.119 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.816 ' HZ ' H182 ' A' ' 201' ' ' CHO . 36.9 p90 -160.64 176.53 11.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.798 0.332 . . . . 2.02 110.456 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HZ1' ' CG ' ' A' ' 70' ' ' ASP . 7.6 mmtt -131.67 141.33 49.56 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.744 -0.835 . . . . 3.12 108.744 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.584 ' HB1' ' SD ' ' A' ' 71' ' ' MET . . . -151.06 162.45 40.84 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.552 0.215 . . . . 1.05 110.686 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 138.06 39.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.281 -0.418 . . . . 1.01 110.423 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 t -117.39 145.5 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.302 -0.408 . . . . 1.11 110.222 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.494 ' CG ' HG11 ' A' ' 91' ' ' VAL . 5.1 pttt -135.04 179.43 6.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.992 -0.373 . . . . 1.79 109.992 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 ttt -137.5 117.11 12.98 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.096 -0.242 . . . . 1.02 110.871 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -121.69 112.61 18.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.801 -0.181 . . . . 2.67 110.864 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.43 90.22 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 121.096 -0.574 . . . . 0.6 112.85 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.97 26.79 65.87 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.714 -0.755 . . . . 0.42 112.37 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -127.78 127.93 44.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.802 -0.444 . . . . 2.39 109.802 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mt -82.28 109.31 16.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.959 -0.385 . . . . 1.03 109.959 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.494 HG11 ' CG ' ' A' ' 84' ' ' LYS . 2.7 p -114.0 129.73 69.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.247 0.546 . . . . 1.08 110.791 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.587 ' HB1' ' H12' ' A' ' 201' ' ' CHO . . . -106.76 142.53 36.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.827 -0.624 . . . . 1.03 110.11 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -96.66 121.49 38.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.132 0.492 . . . . 1.19 111.6 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CZ ' H181 ' A' ' 201' ' ' CHO . 67.2 m-85 -144.16 157.52 56.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.348 -0.842 . . . . 2.2 111.356 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.86 120.44 3.83 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.66 2.24 . . . . 0.42 110.97 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.0 t30 62.94 21.26 12.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.56 0.695 . . . . 1.9 110.427 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.53 ' CE1' H211 ' A' ' 201' ' ' CHO . 3.4 t80 -146.08 128.81 16.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.765 -0.652 . . . . 2.24 110.401 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 112' ' ' SER . 27.3 t60 -126.57 104.07 7.92 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.824 -0.625 . . . . 1.37 109.326 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -109.45 118.08 35.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.682 0.277 . . . . 0.92 111.146 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 p -128.17 133.18 48.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 1.03 110.514 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.79 133.78 55.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 1.09 110.347 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -155.64 171.22 20.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.868 0.366 . . . . 1.38 110.892 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 15.1 mm -102.89 118.89 50.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.804 -0.634 . . . . 1.13 110.41 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.8 t -123.83 110.17 14.54 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.979 -0.378 . . . . 1.86 109.979 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.26 30.77 73.74 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.04 -0.6 . . . . 0.96 112.201 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.48 13.27 82.82 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.02 -0.609 . . . . 0.62 112.295 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -123.94 153.58 40.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 1.8 110.634 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.631 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 2.1 tm? -93.68 119.49 32.75 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.164 -0.68 . . . . 1.49 109.164 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.9 p -124.36 116.44 47.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.138 0.494 . . . . 1.1 109.747 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' HG3' ' CD1' ' A' ' 108' ' ' LEU . 28.7 mt-10 -102.39 134.47 45.65 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.946 -0.57 . . . . 1.69 110.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.95 121.71 67.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.732 -0.667 . . . . 1.14 109.276 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.5 m -122.16 104.66 9.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.058 -0.519 . . . . 0.6 110.3 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.517 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -92.22 137.59 32.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.03 -0.532 . . . . 1.03 110.959 179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 t -154.65 117.59 4.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.651 0.262 . . . . 1.92 110.377 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 m 57.85 32.24 21.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.72 -0.673 . . . . 1.17 111.997 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.67 -22.3 39.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.424 -0.893 . . . . 0.52 113.542 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.4 t -84.25 121.89 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 117.24 0.52 . . . . 1.24 110.412 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 48.8 t -97.81 110.66 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.896 -0.593 . . . . 1.61 111.55 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.449 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 60.9 t80 -97.01 133.25 41.92 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.287 -0.635 . . . . 2.13 109.287 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -131.59 138.91 49.03 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.809 0.337 . . . . 1.77 111.031 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 128.97 31.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 3.06 110.132 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 16.4 m -109.52 132.6 53.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.082 -0.508 . . . . 1.13 110.35 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -129.08 140.64 51.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.083 -0.508 . . . . 0.67 109.953 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 23.8 pttt -90.3 156.43 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.001 -0.37 . . . . 2.01 110.001 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.13 134.15 36.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.423 0.63 . . . . 2.1 111.449 -177.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -142.22 166.01 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 114.855 -1.066 . . . . 1.13 109.082 178.533 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.353 -0.832 . . . . 1.27 109.443 178.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.94 ' HO7' ' H41' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.816 H182 ' HZ ' ' A' ' 79' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.604 0.24 . . . . 1.69 110.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -102.26 -23.92 13.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.591 -0.277 . . . . 2.16 111.346 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.477 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.4 m -64.36 138.06 58.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.956 0.408 . . . . 1.02 110.556 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.489 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 137.55 168.11 11.25 Favored Glycine 0 N--CA 1.435 -1.4 0 C-N-CA 120.201 -1.0 . . . . 0.24 112.34 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 145.03 27.03 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.06 -1.089 . . . . 2.15 108.06 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 91.7 m-85 -126.39 141.78 51.77 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.586 0.232 . . . . 2.2 110.984 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -121.77 150.53 41.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.879 -0.6 . . . . 1.41 109.465 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -54.85 131.68 44.72 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.53 0.519 . . . . 2.7 111.26 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 122' ' ' THR . 0.7 OUTLIER -126.72 -57.39 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.548 -0.751 . . . . 1.46 110.557 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -153.7 163.83 39.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.172 -0.467 . . . . 1.28 110.963 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 1.2 p30 -152.45 155.03 36.71 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.451 -0.574 . . . . 1.72 109.451 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -140.55 138.53 34.58 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.218 -0.446 . . . . 1.44 110.051 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 t30 61.75 49.28 4.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.942 -1.026 . . . . 1.16 111.431 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.407 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 7.3 t80 -77.18 -56.03 4.92 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.33 -0.395 . . . . 2.27 111.709 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.441 ' CG ' HH22 ' A' ' 32' ' ' ARG . 3.4 m-20 -58.34 -42.94 87.97 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.147 0.425 . . . . 1.3 112.147 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -39.41 94.13 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.996 0.427 . . . . 1.46 110.933 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.54 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 89.3 t80 -64.97 -53.99 37.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.511 -0.768 . . . . 2.15 111.278 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.7 m -62.69 -35.63 71.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 1.08 111.919 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.84 -24.76 63.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.379 . . . . 1.67 110.327 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HG3' ' CG2' ' A' ' 117' ' ' VAL . 0.9 OUTLIER -78.8 -54.3 6.22 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.735 -0.666 . . . . 1.53 111.609 -179.35 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 pt -69.32 -6.38 6.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.39 -0.823 . . . . 1.06 111.178 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.1 39.82 62.53 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.488 -0.863 . . . . 0.42 112.988 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.627 HD22 H181 ' A' ' 200' ' ' CHO . 17.9 tp -72.47 132.77 83.45 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 109.637 -0.505 . . . . 1.11 109.637 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -65.53 142.24 70.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.064 1.843 . . . . 0.4 111.71 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.28 -34.91 59.26 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.06 0.457 . . . . 1.12 111.292 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -39.96 80.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.283 -0.872 . . . . 2.03 110.821 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HD2' H222 ' A' ' 200' ' ' CHO . 75.9 mmtt -88.85 -32.15 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 1.47 110.864 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.447 HD11 ' O ' ' A' ' 23' ' ' LEU . 55.8 mt -57.59 -58.94 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 1.13 111.166 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -66.38 -30.6 71.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.918 -0.583 . . . . 1.73 110.798 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.418 ' HG2' H231 ' A' ' 200' ' ' CHO . 10.6 tpt -68.14 -40.67 82.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.296 -0.866 . . . . 1.63 111.133 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.591 ' CA ' H212 ' A' ' 200' ' ' CHO . . . -102.78 27.94 18.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.02 -0.609 . . . . 0.51 113.911 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.441 HH22 ' CG ' ' A' ' 15' ' ' ASP . 9.6 ptm180 -125.35 144.33 50.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.441 -0.577 . . . . 2.94 109.441 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.95 14.02 9.02 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.624 0.578 . . . . 2.14 110.736 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -97.18 156.94 16.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.058 -0.519 . . . . 1.22 111.248 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -88.12 88.08 7.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.418 0.628 . . . . 3.03 111.006 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.8 mm -87.98 122.91 40.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.81 -0.632 . . . . 1.4 110.189 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.542 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 25.4 t -102.87 125.8 57.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.058 -0.519 . . . . 1.11 110.314 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.619 ' HA ' ' O ' ' A' ' 50' ' ' THR . 98.6 m -111.07 109.64 19.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.092 -0.504 . . . . 1.05 109.764 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -100.23 117.77 35.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.869 0.366 . . . . 1.39 110.248 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 48' ' ' THR . 67.7 t -112.35 134.64 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.713 -0.676 . . . . 1.03 111.3 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.5 t -119.68 134.16 64.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.939 -0.573 . . . . 1.56 110.316 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.477 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 6.0 tp-100 -81.82 130.22 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 2.06 110.105 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -151.64 74.91 1.14 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.82 -0.437 . . . . 2.31 109.82 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.12 -92.06 0.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.878 -0.677 . . . . 0.42 111.413 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.88 10.47 3.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.193 0.52 . . . . 0.51 109.936 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -107.25 108.4 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.355 -0.838 . . . . 1.36 109.299 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -100.02 134.62 42.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.997 0.427 . . . . 1.66 110.768 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.562 HG21 ' OG ' ' A' ' 62' ' ' SER . 32.7 p -94.86 123.9 38.6 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.844 -0.616 . . . . 1.34 110.332 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.513 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -108.41 102.15 11.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.359 -0.608 . . . . 0.48 109.359 178.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.619 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.4 m -105.3 118.82 37.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.369 -0.378 . . . . 1.1 111.285 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -105.7 119.17 38.46 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 110.078 -0.341 . . . . 1.62 110.078 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.47 129.55 49.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.085 0.469 . . . . 0.46 110.547 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CE2' H232 ' A' ' 200' ' ' CHO . 2.2 t80 -111.42 120.04 43.73 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.387 -0.824 . . . . 2.11 110.148 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 33.5 Cg_endo -63.8 113.94 2.37 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.455 2.104 . . . . 0.51 111.518 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.49 31.9 82.4 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.708 -0.678 . . . . 0.52 112.378 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.414 ' HA3' ' CD2' ' A' ' 53' ' ' PHE . . . -147.31 -164.68 11.32 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.367 -0.921 . . . . 0.41 113.026 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.8 145.92 34.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 3.97 111.404 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 t -103.68 160.29 14.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.033 0.444 . . . . 1.07 110.946 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.23 131.97 21.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.012 -0.54 . . . . 1.11 110.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -137.07 117.88 14.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.698 0.285 . . . . 1.04 110.617 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -129.19 126.56 39.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.084 0.469 . . . . 2.22 110.469 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.562 ' OG ' HG21 ' A' ' 48' ' ' THR . 48.7 m -110.21 132.96 53.71 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.087 -0.709 . . . . 1.32 109.087 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.659 ' CD1' ' H5 ' ' A' ' 201' ' ' CHO . 46.5 p90 -133.11 145.41 50.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.095 0.474 . . . . 1.55 112.029 -177.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 65.1 m -107.4 128.4 54.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.678 -0.692 . . . . 1.03 109.564 178.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.46 127.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 1.05 110.878 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.4 t70 74.85 21.75 2.02 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.197 0.999 . . . . 1.1 110.636 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.487 ' HE2' ' O ' ' A' ' 68' ' ' GLU . 17.0 tptm -136.81 140.9 42.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.787 -0.642 . . . . 2.09 110.175 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.487 ' O ' ' HE2' ' A' ' 67' ' ' LYS . 28.5 tt0 -75.99 122.69 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.533 -0.543 . . . . 2.55 109.533 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -111.88 158.79 19.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.27 -0.423 . . . . 1.04 111.208 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.24 119.17 31.09 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.12 -1.067 . . . . 1.95 108.12 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.613 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 7.4 mtt -122.26 162.88 20.62 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.638 0.732 . . . . 1.01 112.258 -178.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.547 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 17.9 tt0 -149.85 142.39 24.43 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.654 -1.157 . . . . 1.47 108.254 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.57 HG23 H222 ' A' ' 201' ' ' CHO . 26.4 p -97.84 175.38 6.18 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.666 -0.494 . . . . 1.03 109.666 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.783 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 31.6 mtt -74.21 -12.52 60.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.41 -0.589 . . . . 1.64 109.41 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.25 -10.33 83.83 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 111.179 -0.769 . . . . 0.48 111.179 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.57 20.97 30.31 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.296 -0.478 . . . . 0.48 112.845 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.547 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 8.5 mtp180 -82.13 124.28 29.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.815 0.308 . . . . 1.1 111.059 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -98.81 122.2 41.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.281 -0.637 . . . . 2.27 109.281 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.781 ' HZ ' H182 ' A' ' 201' ' ' CHO . 48.0 p90 -160.74 175.0 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.468 0.544 . . . . 2.02 112.468 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.87 147.08 48.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.579 -0.737 . . . . 3.12 109.36 178.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.8 159.5 41.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.951 0.405 . . . . 1.05 111.736 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.93 124.06 43.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 1.01 109.78 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.3 t -110.01 138.15 39.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.628 -0.26 . . . . 1.11 110.493 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' CG ' HG12 ' A' ' 91' ' ' VAL . 16.0 pttt -127.74 -179.16 4.79 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.826 -0.435 . . . . 1.79 109.826 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.9 mtt -130.86 131.38 44.53 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 121.144 -0.222 . . . . 1.02 110.53 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.55 91.85 3.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.961 0.41 . . . . 2.67 111.199 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.67 53.29 44.77 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 115.978 -0.555 . . . . 0.6 113.408 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.68 18.47 79.69 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.837 -0.697 . . . . 0.42 113.169 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -127.08 116.09 20.16 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.117 -0.697 . . . . 2.39 109.117 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.6 mt -73.8 117.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 110.367 -0.234 . . . . 1.03 110.367 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.418 HG12 ' CG ' ' A' ' 84' ' ' LYS . 2.7 p -117.75 129.54 74.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.45 0.643 . . . . 1.08 111.346 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.597 ' HB3' ' H12' ' A' ' 201' ' ' CHO . . . -115.0 137.53 51.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.659 -0.701 . . . . 1.03 109.822 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -103.7 123.56 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.026 0.441 . . . . 1.19 111.32 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.52 ' CZ ' H181 ' A' ' 201' ' ' CHO . 87.7 m-85 -137.47 156.53 74.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.604 -0.725 . . . . 2.2 110.084 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.01 113.21 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.169 1.913 . . . . 0.42 111.943 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 59.29 21.36 9.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.679 -0.691 . . . . 1.9 111.539 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.626 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.6 t80 -140.95 124.85 17.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.843 -0.617 . . . . 2.24 109.954 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.503 ' O ' ' HA ' ' A' ' 112' ' ' SER . 23.5 t60 -123.94 121.58 35.67 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.126 -0.488 . . . . 1.37 110.069 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.513 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 12.4 t60 -121.78 122.12 38.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.287 0.367 . . . . 0.92 111.035 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.9 p -128.85 132.0 47.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.162 -0.472 . . . . 1.03 110.453 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.84 137.56 51.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.226 -0.443 . . . . 1.09 110.367 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -157.35 175.82 13.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 1.38 111.104 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.8 mm -114.86 114.42 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.048 -0.524 . . . . 1.13 109.738 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.7 p -92.86 78.73 4.72 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.256 0.551 . . . . 1.86 110.434 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.5 -63.21 4.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.808 -0.71 . . . . 0.96 111.737 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -160.17 22.33 0.26 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.927 -0.654 . . . . 0.62 111.66 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -135.9 151.69 50.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.838 0.351 . . . . 1.8 110.558 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.0 tm? -91.64 122.34 34.12 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.105 -0.702 . . . . 1.49 109.105 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.6 p -127.48 121.22 56.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.333 0.587 . . . . 1.1 110.085 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -108.3 134.47 51.08 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.485 -0.779 . . . . 1.69 110.099 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 4.7 mp -113.52 126.28 70.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.827 -0.624 . . . . 1.14 109.678 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 2.0 m -126.8 108.37 10.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.126 -0.488 . . . . 0.6 110.446 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -93.94 133.71 37.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.915 -0.584 . . . . 1.03 110.022 179.191 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.8 p -131.21 96.71 4.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.985 0.422 . . . . 1.92 111.03 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.5 m 57.84 32.44 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.511 -0.768 . . . . 1.17 111.626 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.18 -44.07 1.47 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.662 -0.78 . . . . 0.52 113.585 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.448 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 70.4 t -69.17 124.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.028 0.442 . . . . 1.24 111.04 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 46.0 t -100.1 110.78 27.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.699 -0.682 . . . . 1.61 111.31 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 41.6 t80 -98.6 134.85 40.97 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.866 -0.79 . . . . 2.13 108.866 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -133.98 140.34 46.67 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 120.623 0.249 . . . . 1.77 110.93 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.533 HH12 ' C3 ' ' A' ' 200' ' ' CHO . 15.4 ptt-85 -137.5 136.98 38.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.105 0.479 . . . . 3.06 110.126 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.483 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 90.5 m -113.13 125.82 54.78 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.585 -0.734 . . . . 1.13 109.957 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.5 m -124.89 141.32 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.147 -0.478 . . . . 0.67 110.573 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -81.46 155.29 25.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.977 -0.556 . . . . 2.01 110.359 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.57 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -101.08 124.84 47.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.299 0.571 . . . . 2.1 110.422 -179.696 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.519 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -141.25 168.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.069 -1.086 . . . . 1.13 108.069 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.516 -0.754 . . . . 1.27 110.286 178.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.897 ' C7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.897 H262 ' C7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.582 0.23 . . . . 1.69 110.796 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -92.39 -23.4 19.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.561 -0.29 . . . . 2.16 110.982 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.566 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -63.62 145.95 54.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.077 -0.511 . . . . 1.02 112.045 -179.37 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.55 170.81 12.99 Favored Glycine 0 N--CA 1.438 -1.176 0 C-N-CA 120.54 -0.838 . . . . 0.24 112.406 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 6.9 ptmt -99.97 143.23 30.42 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.331 -0.989 . . . . 2.15 108.331 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 84.9 m-85 -125.77 146.67 49.67 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.633 0.254 . . . . 2.2 110.696 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -126.02 154.55 42.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.248 -0.433 . . . . 1.41 110.54 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -56.19 116.71 3.19 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 123.806 0.691 . . . . 2.7 111.083 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.9 tp10 -114.16 -55.26 2.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.138 -0.483 . . . . 1.46 110.541 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 m -146.82 156.83 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.56 -0.291 . . . . 1.28 111.01 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -145.21 155.02 43.01 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.753 -0.462 . . . . 1.72 109.753 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -148.1 139.91 23.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.192 -0.458 . . . . 1.44 110.172 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 60.63 48.08 7.66 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.601 -0.727 . . . . 1.16 111.373 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -76.4 -56.17 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.715 0.293 . . . . 2.27 111.008 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.98 -46.12 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.966 -0.561 . . . . 1.3 111.22 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.16 -40.91 82.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.154 0.502 . . . . 1.46 110.557 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.582 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 87.2 t80 -65.05 -55.59 18.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.258 -0.883 . . . . 2.15 110.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 m -61.99 -34.91 65.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 1.08 111.85 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -72.89 -28.44 62.49 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.85 -0.34 . . . . 1.67 111.271 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -77.78 -39.36 44.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.581 -0.281 . . . . 1.53 111.184 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.0 pt -80.97 -6.48 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.489 -0.323 . . . . 1.06 111.748 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.3 37.8 58.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.667 -0.778 . . . . 0.42 113.155 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 25.2 tp -73.51 136.3 78.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.117 -0.327 . . . . 1.11 110.117 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 33.6 Cg_endo -66.93 141.23 57.73 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.57 2.18 . . . . 0.4 111.74 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.08 -35.56 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 1.12 111.353 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -41.32 71.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 2.03 111.562 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -88.92 -33.84 17.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.991 -0.549 . . . . 1.47 110.717 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.438 HG12 HD21 ' A' ' 23' ' ' LEU . 59.4 mt -56.89 -53.3 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.16 0.505 . . . . 1.13 110.841 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -73.85 -18.41 60.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.775 -0.648 . . . . 1.73 111.356 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.412 ' HE2' ' O ' ' A' ' 30' ' ' MET . 11.2 tpt -82.29 -31.91 29.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.155 -0.475 . . . . 1.63 110.522 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.544 ' CA ' H212 ' A' ' 200' ' ' CHO . . . -111.57 29.8 8.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.834 -0.698 . . . . 0.51 114.165 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.4 HH21 ' CG2' ' A' ' 28' ' ' ILE . 6.4 ptp180 -112.65 136.87 51.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.991 0.895 . . . . 2.94 110.751 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 62.51 15.45 7.87 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.503 -0.771 . . . . 2.14 111.176 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -87.36 152.22 22.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.124 -0.489 . . . . 1.22 110.5 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 92.06 8.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.102 0.477 . . . . 3.03 111.39 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' HIS . 3.5 mp -91.23 117.11 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.131 -0.692 . . . . 1.4 109.131 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -86.53 136.38 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.314 -0.403 . . . . 1.11 110.377 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.713 ' HA ' ' O ' ' A' ' 50' ' ' THR . 97.9 m -118.62 106.25 12.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.649 -0.25 . . . . 1.05 110.835 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -95.15 119.77 34.23 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.95 -0.389 . . . . 1.39 109.95 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' THR . 57.5 t -114.46 129.66 70.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 123.507 0.505 . . . . 1.03 111.72 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.496 ' HB ' ' HG1' ' A' ' 48' ' ' THR . 47.9 t -114.4 128.54 71.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.627 -0.879 . . . . 1.56 108.627 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.566 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 9.3 tt0 -86.7 108.2 18.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.251 0.548 . . . . 2.06 111.072 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -120.81 73.55 1.02 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.501 -0.772 . . . . 2.31 109.328 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.18 -102.38 0.78 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 111.095 -0.802 . . . . 0.42 111.095 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.82 11.38 15.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.686 0.755 . . . . 0.51 109.237 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -109.12 111.06 22.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.64 -1.163 . . . . 1.36 109.368 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -108.23 129.13 55.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.239 0.542 . . . . 1.66 110.635 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.496 ' HG1' ' HB ' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -92.12 117.65 30.06 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.783 -0.644 . . . . 1.34 111.137 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.526 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -99.39 104.81 16.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.109 0.481 . . . . 0.48 109.748 179.181 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.713 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.6 m -106.88 119.23 38.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 1.1 110.789 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' HB3' ' HE3' ' A' ' 74' ' ' MET . 3.7 mp0 -109.73 118.48 36.65 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.24 0.338 . . . . 1.62 110.302 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 96.7 m-70 -107.2 132.16 53.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.022 0.439 . . . . 0.46 110.609 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 9.4 t80 -105.98 137.41 19.36 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.603 -0.726 . . . . 2.11 110.663 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.25 114.68 3.7 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.296 1.997 . . . . 0.51 111.84 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.42 30.57 76.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.974 -0.631 . . . . 0.52 112.707 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.38 -164.64 11.08 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.364 -0.922 . . . . 0.41 113.216 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.47 146.12 40.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.124 0.487 . . . . 3.97 111.699 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 t -100.74 159.43 15.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.127 -0.488 . . . . 1.07 110.406 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.55 136.7 39.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.823 -0.626 . . . . 1.11 109.494 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -147.17 117.99 7.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.92 0.39 . . . . 1.04 111.323 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.471 ' ND2' ' H61' ' A' ' 201' ' ' CHO . 0.2 OUTLIER -131.4 128.21 39.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.274 0.559 . . . . 2.22 110.624 179.196 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.406 ' HB3' HG22 ' A' ' 48' ' ' THR . 64.0 p -101.27 140.33 35.71 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.251 -0.886 . . . . 1.32 109.379 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 51.8 p90 -142.75 145.98 33.84 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.64 -0.424 . . . . 1.55 111.256 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 55.5 m -112.03 131.28 55.51 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.21 -0.663 . . . . 1.03 109.21 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.0 mm -55.26 128.5 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 120.744 0.307 . . . . 1.05 110.967 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 71.37 23.19 4.02 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.032 0.933 . . . . 1.1 110.317 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.463 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.8 tptt -136.87 144.39 43.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.418 -0.81 . . . . 2.09 110.059 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -78.17 139.45 38.97 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.547 -0.538 . . . . 2.55 109.547 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.53 150.03 51.92 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.537 0.569 . . . . 1.04 112.537 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.2 114.65 20.86 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.345 -0.843 . . . . 1.95 108.796 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.528 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.2 mtt -117.08 168.78 9.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.525 0.679 . . . . 1.01 112.38 -177.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 8.4 tt0 -156.57 141.92 17.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.839 -1.073 . . . . 1.47 108.592 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.529 HG22 H222 ' A' ' 201' ' ' CHO . 30.8 p -100.87 174.21 6.14 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.802 -0.359 . . . . 1.03 110.204 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.649 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 44.8 mtt -72.81 -14.44 61.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.987 0.422 . . . . 1.64 110.387 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.59 -7.69 84.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.139 -0.553 . . . . 0.48 111.999 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.45 27.16 12.13 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.71 -0.757 . . . . 0.48 112.823 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 7.5 mtp85 -90.92 121.9 33.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.949 0.374 . . . . 1.1 110.23 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -100.4 121.74 42.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.812 -0.81 . . . . 2.27 108.812 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.801 ' HZ ' H182 ' A' ' 201' ' ' CHO . 48.2 p90 -157.29 173.6 16.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.238 0.542 . . . . 2.02 112.269 -177.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 138.7 46.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.876 -0.787 . . . . 3.12 108.876 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.23 162.3 41.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.741 0.305 . . . . 1.05 111.187 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -102.48 140.43 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.291 -0.413 . . . . 1.01 110.096 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.76 145.27 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.129 -0.487 . . . . 1.11 110.169 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -136.79 174.41 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.93 -0.396 . . . . 1.79 109.93 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.7 mtt -129.5 133.44 47.27 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.119 -0.326 . . . . 1.02 110.119 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -135.72 103.18 5.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.993 0.425 . . . . 2.67 111.131 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.75 36.24 61.83 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.885 -0.598 . . . . 0.6 113.076 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.68 23.67 66.73 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.952 -0.642 . . . . 0.42 112.54 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -127.56 127.11 43.37 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.535 -0.543 . . . . 2.39 109.535 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 100' ' ' THR . 2.2 mt -82.57 114.31 23.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.926 -0.398 . . . . 1.03 109.926 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.5 p -117.55 131.94 68.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.424 0.631 . . . . 1.08 110.787 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.723 ' HB3' ' H12' ' A' ' 201' ' ' CHO . . . -107.56 144.17 34.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.553 -0.748 . . . . 1.03 110.244 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -97.3 121.56 39.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.444 -0.343 . . . . 1.19 110.87 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.524 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 70.5 m-85 -147.78 153.61 42.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.52 -0.764 . . . . 2.2 110.518 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.43 114.22 3.74 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.272 1.981 . . . . 0.42 110.92 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 65.08 10.59 6.46 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.249 0.62 . . . . 1.9 111.768 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.584 ' HA ' ' O ' ' A' ' 113' ' ' THR . 5.8 t80 -127.78 128.51 45.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.228 -0.656 . . . . 2.24 109.228 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.73 ' O ' ' HA ' ' A' ' 112' ' ' SER . 75.4 t60 -125.8 100.85 6.59 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.257 -0.883 . . . . 1.37 109.498 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.844 ' ND1' H122 ' A' ' 201' ' ' CHO . 6.0 t60 -99.23 120.98 40.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.92 110.717 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 20.3 p -134.76 128.79 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.997 0.427 . . . . 1.03 111.542 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.34 130.92 54.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.727 -0.67 . . . . 1.09 110.879 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -150.18 172.36 15.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 1.38 110.808 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 44.5 mm -111.03 119.08 58.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.026 -0.731 . . . . 1.13 109.026 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.8 m -131.2 107.25 8.87 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 110.185 -0.302 . . . . 1.86 110.185 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.37 28.29 55.92 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.457 -0.657 . . . . 0.96 111.457 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.31 27.09 66.59 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.229 -0.51 . . . . 0.62 111.94 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -138.44 144.3 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.75 0.31 . . . . 1.8 111.257 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 3.1 tm? -82.69 113.8 20.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.962 -0.755 . . . . 1.49 108.962 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.18 108.34 23.62 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 109.004 -0.739 . . . . 1.1 109.004 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -96.61 137.2 36.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.608 -0.724 . . . . 1.69 110.131 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.42 119.98 56.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.517 -0.765 . . . . 1.14 109.07 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.73 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 0.0 OUTLIER -128.42 116.72 20.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.798 -0.637 . . . . 0.6 110.886 -177.675 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.584 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -89.05 139.97 29.92 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.654 -0.703 . . . . 1.03 110.884 179.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.4 p -130.96 96.09 3.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.78 -0.646 . . . . 1.92 110.242 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.0 m 54.02 30.88 12.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.711 -0.677 . . . . 1.17 111.667 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 116.28 -28.76 7.39 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.431 -0.89 . . . . 0.52 113.125 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -80.55 124.58 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.084 0.442 . . . . 1.24 110.481 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.0 t -98.42 110.46 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.975 0.417 . . . . 1.61 111.616 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -98.08 130.98 44.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.532 -0.758 . . . . 2.13 109.762 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -126.89 144.65 50.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.888 0.375 . . . . 1.77 111.39 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.438 ' NH1' ' H22' ' A' ' 200' ' ' CHO . 16.8 ptt180 -144.92 121.79 11.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.233 -0.44 . . . . 3.06 111.078 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 20.9 m -98.75 129.25 45.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.927 -0.579 . . . . 1.13 110.002 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 m -124.59 139.47 53.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.475 -0.329 . . . . 0.67 110.703 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 17.7 pttm -82.8 150.25 26.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.287 -0.415 . . . . 2.01 110.04 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.529 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -96.57 123.65 40.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.136 0.493 . . . . 2.1 110.53 -179.643 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.482 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -139.24 168.99 17.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.78 -0.646 . . . . 1.13 109.504 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 119.125 -0.464 . . . . 1.27 110.114 178.808 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.787 ' O7 ' ' H41' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.844 H122 ' ND1' ' A' ' 99' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.41 0.148 . . . . 1.69 111.186 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -93.51 -22.23 18.98 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.951 -0.299 . . . . 2.16 111.464 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.08 139.09 56.21 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.74 0.305 . . . . 1.02 111.259 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 170.6 11.91 Favored Glycine 0 N--CA 1.439 -1.131 0 C-N-CA 120.906 -0.664 . . . . 0.24 111.993 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -97.32 142.96 28.56 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.558 -0.905 . . . . 2.15 108.558 178.099 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 80.4 m-85 -128.09 140.58 51.87 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.694 -0.23 . . . . 2.2 110.397 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -124.32 142.09 51.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 1.41 110.944 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -47.92 119.37 2.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 114.956 -1.02 . . . . 2.7 111.799 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.4 -50.85 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 1.46 110.783 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -147.86 157.67 43.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.569 -0.287 . . . . 1.28 110.827 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -147.04 155.18 42.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.568 -0.53 . . . . 1.72 109.568 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.49 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 24.3 tt0 -147.35 137.41 23.1 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.999 -0.546 . . . . 1.44 110.02 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 64.06 37.52 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.247 -0.888 . . . . 1.16 111.257 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -64.69 -62.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 2.27 110.992 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HA ' HG22 ' A' ' 18' ' ' VAL . 7.5 m-20 -57.93 -40.1 79.63 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.315 -0.402 . . . . 1.3 110.963 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -43.79 94.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.095 0.474 . . . . 1.46 110.513 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.426 ' O ' HG12 ' A' ' 21' ' ' ILE . 63.1 t80 -66.12 -52.63 46.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.654 -0.703 . . . . 2.15 111.297 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.4 m -62.38 -34.86 66.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 1.08 111.622 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.68 -25.04 58.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.991 0.424 . . . . 1.67 110.405 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -80.85 -44.0 19.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 1.53 111.451 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 17' ' ' PHE . 14.6 pt -77.96 -6.56 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.895 0.331 . . . . 1.06 111.895 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.49 32.29 42.74 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.098 -0.572 . . . . 0.42 113.544 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.626 HD12 H152 ' A' ' 200' ' ' CHO . 17.8 tp -71.68 132.21 85.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.886 0.343 . . . . 1.11 110.251 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.436 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 31.1 Cg_endo -65.2 140.23 63.93 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 121.878 1.718 . . . . 0.4 111.553 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.91 -39.58 54.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.775 0.658 . . . . 1.12 112.775 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 30' ' ' MET . 1.4 m-20 -62.3 -32.81 73.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.59 -0.277 . . . . 2.03 111.616 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 61.3 mmtt -86.49 -30.8 21.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.711 -0.478 . . . . 1.47 109.711 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.53 -60.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.501 -0.772 . . . . 1.13 110.613 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -62.86 -24.68 67.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.587 -0.733 . . . . 1.73 111.295 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.45 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 7.8 tpt -73.46 -45.72 52.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.439 -0.8 . . . . 1.63 110.342 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.615 ' CA ' H212 ' A' ' 200' ' ' CHO . . . -97.73 25.65 26.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.51 114.076 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -114.18 142.8 45.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 117.439 0.619 . . . . 2.94 110.875 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 60.04 19.62 8.78 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.106 -0.952 . . . . 2.14 110.475 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.7 m -98.8 138.71 35.56 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.485 -0.78 . . . . 1.22 110.415 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 89.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 3.03 111.405 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mm -85.5 122.02 37.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.019 -0.537 . . . . 1.4 109.911 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.7 t -100.0 131.41 47.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.88 -0.415 . . . . 1.11 109.88 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.666 ' HA ' ' O ' ' A' ' 50' ' ' THR . 52.0 m -113.87 108.98 17.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 1.05 110.342 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -97.42 116.52 29.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.883 -0.414 . . . . 1.39 109.883 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 48' ' ' THR . 79.1 t -111.22 129.98 65.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 123.534 0.521 . . . . 1.03 111.104 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.5 t -120.64 134.9 62.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.289 -1.004 . . . . 1.56 108.289 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -98.25 115.57 28.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.176 0.512 . . . . 2.06 111.377 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -128.06 81.6 2.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.639 -0.71 . . . . 2.31 109.569 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.31 -91.98 0.75 Allowed Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.96 -0.856 . . . . 0.42 110.96 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.61 10.11 4.0 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.241 -0.651 . . . . 0.51 109.241 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 18.8 t70 -105.4 109.35 21.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.885 . . . . 1.36 109.032 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -100.03 130.8 46.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.931 0.396 . . . . 1.66 110.171 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 73.2 p -93.46 121.07 34.48 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.936 -0.575 . . . . 1.34 110.726 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.649 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -103.31 109.25 20.79 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.647 -0.501 . . . . 0.48 109.647 178.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.666 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.5 m -111.36 120.36 41.95 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.042 -0.526 . . . . 1.1 110.99 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -109.66 117.95 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.925 0.393 . . . . 1.62 110.074 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -101.62 134.11 45.27 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.93 -0.577 . . . . 0.46 110.522 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.471 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 3.7 t80 -112.2 125.24 30.48 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 115.093 -0.958 . . . . 2.11 109.965 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.7 Cg_endo -62.71 115.22 2.78 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.471 2.114 . . . . 0.51 112.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.99 28.55 72.96 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.899 -0.591 . . . . 0.52 113.263 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.5 -165.57 11.95 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.358 -0.925 . . . . 0.41 113.303 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.42 143.84 46.59 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.1 0.476 . . . . 3.97 111.798 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.0 t -104.1 159.46 15.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.877 -0.602 . . . . 1.07 110.082 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.99 139.16 42.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.18 -0.304 . . . . 1.11 110.18 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -145.71 114.3 6.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.861 0.362 . . . . 1.04 111.406 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.8 129.45 44.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.146 0.498 . . . . 2.22 110.693 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.8 p -105.54 141.47 36.96 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.432 -0.804 . . . . 1.32 109.544 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.603 ' CE1' ' H5 ' ' A' ' 201' ' ' CHO . 45.1 p90 -140.91 141.72 34.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.095 0.474 . . . . 1.55 112.185 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 52.0 m -104.85 130.75 52.93 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.134 -0.691 . . . . 1.03 109.134 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -57.01 124.37 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.042 0.448 . . . . 1.05 110.955 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 73.26 27.8 1.9 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.93 -1.032 . . . . 1.1 109.923 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.532 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 43.6 tptt -139.36 147.72 41.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.273 -0.876 . . . . 2.09 110.577 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.93 139.81 55.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.066 -0.716 . . . . 2.55 109.066 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -134.41 141.51 46.85 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.311 0.577 . . . . 1.04 112.376 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.43 113.49 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.72 -1.127 . . . . 1.95 108.466 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.502 ' SD ' ' C19' ' A' ' 201' ' ' CHO . 27.1 mtt -119.73 169.93 9.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.428 0.632 . . . . 1.01 112.495 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 7.1 tt0 -158.71 140.71 13.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.668 -1.151 . . . . 1.47 108.338 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.5 HG22 H222 ' A' ' 201' ' ' CHO . 37.0 p -91.27 -177.26 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.946 0.403 . . . . 1.03 111.014 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.517 ' CB ' ' H17' ' A' ' 200' ' ' CHO . 46.3 mtp -83.55 -5.13 59.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.223 -0.444 . . . . 1.64 109.874 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.52 ' HA2' H161 ' A' ' 200' ' ' CHO . . . -93.07 -18.55 39.36 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.281 -0.728 . . . . 0.48 111.281 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.46 19.2 8.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.152 -0.547 . . . . 0.48 113.239 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.591 ' HD2' ' C27' ' A' ' 201' ' ' CHO . 14.7 mtp85 -85.2 123.54 30.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.062 0.431 . . . . 1.1 110.169 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.09 122.3 44.38 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.884 -0.784 . . . . 2.27 108.884 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.76 ' HZ ' H182 ' A' ' 201' ' ' CHO . 35.4 p90 -153.4 175.88 12.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.076 0.465 . . . . 2.02 111.664 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.88 137.6 46.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.076 -0.712 . . . . 3.12 109.076 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.59 161.41 41.75 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.814 0.34 . . . . 1.05 111.116 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.22 132.94 49.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.03 -0.532 . . . . 1.01 109.645 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.49 142.31 32.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.415 -0.357 . . . . 1.11 110.052 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -135.91 -176.41 4.3 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.451 -0.574 . . . . 1.79 109.451 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.404 ' HE3' HG12 ' A' ' 90' ' ' ILE . 3.2 mtt -125.16 150.38 46.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.651 0.263 . . . . 1.02 110.765 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.1 78.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.895 0.379 . . . . 2.67 111.131 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.82 50.6 10.77 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.549 -0.834 . . . . 0.6 113.124 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.9 15.44 81.19 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.888 -0.673 . . . . 0.42 112.82 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -127.06 124.32 39.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.952 -0.758 . . . . 2.39 108.952 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.404 HG12 ' HE3' ' A' ' 85' ' ' MET . 3.0 mt -78.42 121.48 31.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.528 0.204 . . . . 1.03 110.982 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.28 126.54 75.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.389 0.614 . . . . 1.08 110.895 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.811 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -101.46 137.59 39.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.747 -0.661 . . . . 1.03 109.835 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -97.06 122.09 39.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.095 0.474 . . . . 1.19 111.265 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.54 ' CZ ' H181 ' A' ' 201' ' ' CHO . 73.4 m-85 -145.63 151.92 47.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.166 -0.925 . . . . 2.2 110.363 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -72.87 113.27 3.72 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.175 1.917 . . . . 0.42 111.702 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.449 ' O ' ' HA ' ' A' ' 114' ' ' SER . 0.9 OUTLIER 66.03 16.53 10.5 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.778 -0.646 . . . . 1.9 110.855 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.571 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.2 t80 -136.94 128.52 28.63 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.724 -0.843 . . . . 2.24 108.724 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.6 ' O ' ' HA ' ' A' ' 112' ' ' SER . 24.5 t60 -126.93 116.59 21.04 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.36 -0.382 . . . . 1.37 110.11 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.528 ' CD2' ' H21' ' A' ' 201' ' ' CHO . 12.2 t60 -119.58 120.36 36.48 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.989 0.181 . . . . 0.92 110.759 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.7 p -129.9 135.6 48.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.542 -0.299 . . . . 1.03 111.125 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.86 127.85 54.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.963 -0.562 . . . . 1.09 110.252 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.89 170.33 18.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.044 0.45 . . . . 1.38 110.858 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 34.6 mm -110.35 115.51 49.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.682 -0.69 . . . . 1.13 109.181 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.3 m -133.31 104.08 6.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.098 0.475 . . . . 1.86 110.452 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.65 28.3 27.16 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.533 -0.627 . . . . 0.96 111.533 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.84 21.59 79.65 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.161 -0.776 . . . . 0.62 111.161 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -133.96 152.4 51.84 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.95 0.405 . . . . 1.8 110.714 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -92.19 116.23 28.77 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.614 -0.884 . . . . 1.49 108.614 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 p -121.73 118.61 56.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 121.16 0.505 . . . . 1.1 110.266 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -103.9 141.01 36.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.616 -0.72 . . . . 1.69 110.545 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.458 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.1 mp -122.24 120.79 62.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.651 -0.704 . . . . 1.14 109.816 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.6 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.5 m -119.74 109.36 15.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.6 110.279 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -97.07 136.07 38.15 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.002 -0.544 . . . . 1.03 110.639 179.71 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 67.0 m -147.02 110.87 5.0 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.335 0.397 . . . . 1.92 110.901 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.5 m 55.32 33.85 21.61 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.552 -0.749 . . . . 1.17 112.617 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.76 -26.46 21.02 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.42 -0.895 . . . . 0.52 113.658 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 113' ' ' THR . 87.7 t -83.38 126.5 40.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.353 0.576 . . . . 1.24 111.075 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.46 HG11 ' O ' ' A' ' 118' ' ' VAL . 6.7 p -105.97 109.96 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.752 0.787 . . . . 1.61 110.883 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.402 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 27.7 t80 -95.33 116.45 28.79 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.484 -0.78 . . . . 2.13 110.384 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.49 ' HD2' ' OE2' ' A' ' 12' ' ' GLU . 68.0 mttt -106.55 143.71 34.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.151 -0.477 . . . . 1.77 110.568 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.84 122.71 12.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.807 -0.633 . . . . 3.06 109.888 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 33.7 m -106.12 123.51 48.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.734 -0.667 . . . . 1.13 110.042 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.7 m -123.72 132.12 53.75 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.873 -0.417 . . . . 0.67 109.873 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 12.6 pttm -77.31 154.0 33.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 2.01 110.27 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 127.87 42.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.954 -0.567 . . . . 2.1 110.112 -179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.418 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -141.57 166.4 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.015 -0.539 . . . . 1.13 110.064 178.729 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 117.831 -1.081 . . . . 1.27 108.937 178.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.981 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.981 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.574 0.226 . . . . 1.69 111.45 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -102.3 -24.31 13.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.717 0.266 . . . . 2.16 111.717 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' ' 42' ' ' GLN . 1.3 m -55.74 136.86 50.64 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.925 0.393 . . . . 1.02 111.621 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.508 ' HA3' ' HE3' ' A' ' 125' ' ' LYS . . . 134.73 172.37 12.77 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.454 -0.879 . . . . 0.24 112.293 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.2 OUTLIER -100.85 145.72 28.22 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.751 -0.833 . . . . 2.15 108.751 178.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 93.5 m-85 -127.12 141.63 51.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.48 -0.327 . . . . 2.2 110.808 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -126.9 159.19 34.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.827 -0.624 . . . . 1.41 110.086 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.24 128.29 33.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 123.773 0.671 . . . . 2.7 111.029 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 122' ' ' THR . 12.0 tp10 -127.07 -52.62 1.41 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.747 -0.66 . . . . 1.46 110.051 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -152.49 163.12 40.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.995 -0.548 . . . . 1.28 110.256 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 1.1 p30 -156.61 152.71 27.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.757 -0.46 . . . . 1.72 109.757 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -141.31 140.01 33.73 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.126 -0.488 . . . . 1.44 109.895 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 60.9 31.65 20.0 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.045 0.841 . . . . 1.16 111.209 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.414 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 49.2 t80 -58.5 -62.61 1.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.611 0.226 . . . . 2.27 111.611 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.45 ' O ' HG22 ' A' ' 18' ' ' VAL . 6.1 m-20 -60.95 -42.94 99.22 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.583 -0.28 . . . . 1.3 110.86 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -38.7 76.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.87 0.367 . . . . 1.46 110.604 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 21' ' ' ILE . 74.0 t80 -69.23 -55.8 9.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.048 -0.524 . . . . 2.15 111.289 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 15' ' ' ASP . 27.0 m -60.06 -36.25 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 1.08 111.791 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -72.35 -30.27 64.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.964 0.411 . . . . 1.67 110.303 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.71 -45.16 38.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 1.53 111.422 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.4 pt -74.04 -11.94 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 1.06 111.531 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.7 29.7 34.69 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.714 -0.755 . . . . 0.42 112.998 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 tp -68.1 133.26 91.73 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.169 -0.678 . . . . 1.11 109.169 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.462 ' O ' HG13 ' A' ' 28' ' ' ILE . 29.7 Cg_endo -65.43 137.55 51.42 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.157 1.904 . . . . 0.4 111.447 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.66 -35.65 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.195 0.522 . . . . 1.12 111.164 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 30' ' ' MET . 33.6 t70 -56.89 -37.9 72.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.024 -0.989 . . . . 2.03 111.085 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 40.9 mmtt -90.63 -32.95 16.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.366 -0.379 . . . . 1.47 111.179 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 24' ' ' PRO . 87.1 mt -57.52 -60.46 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.816 -0.629 . . . . 1.13 111.246 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.71 -22.66 66.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.871 -0.604 . . . . 1.73 110.652 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.47 ' O ' ' HE3' ' A' ' 30' ' ' MET . 8.0 tpt -71.47 -37.14 71.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.355 -0.839 . . . . 1.63 110.032 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.572 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -111.1 25.39 14.17 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.565 -0.826 . . . . 0.51 114.057 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -105.29 135.81 45.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.621 0.71 . . . . 2.94 110.957 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.59 23.94 9.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.293 -0.867 . . . . 2.14 110.571 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.2 m -91.54 149.36 21.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.498 -0.774 . . . . 1.22 110.341 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 76.8 4.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.222 0.534 . . . . 3.03 111.531 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.08 117.32 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.836 -0.62 . . . . 1.4 109.648 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 9.5 t -97.69 122.85 49.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 116.07 -0.514 . . . . 1.11 109.772 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.627 ' HA ' ' O ' ' A' ' 50' ' ' THR . 40.7 m -109.35 106.1 15.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.173 -0.467 . . . . 1.05 110.375 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -95.94 118.35 32.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.559 -0.291 . . . . 1.39 110.44 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.01 125.29 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 123.811 0.694 . . . . 1.03 111.264 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.448 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 96.6 t -110.2 126.61 67.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.903 -0.777 . . . . 1.56 108.903 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HB3' ' OG1' ' A' ' 3' ' ' THR . 13.5 pt20 -81.97 120.54 25.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.225 0.536 . . . . 2.06 111.967 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.427 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 1.3 t-20 -142.19 79.49 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.806 -0.813 . . . . 2.31 108.806 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.1 -101.46 0.43 Allowed Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 114.928 -1.033 . . . . 0.42 112.113 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.47 -17.86 13.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 120.878 -0.329 . . . . 0.51 111.473 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.536 ' HB3' ' OG1' ' A' ' 64' ' ' THR . 0.2 OUTLIER -87.2 110.85 20.44 Favored 'General case' 0 N--CA 1.421 -1.886 0 CA-C-O 121.601 0.715 . . . . 1.36 111.824 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -101.53 133.12 46.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.113 -0.948 . . . . 1.66 109.477 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.448 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.6 OUTLIER -97.84 119.53 36.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.96 0.41 . . . . 1.34 111.071 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.496 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -99.14 104.52 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.953 -0.567 . . . . 0.48 109.806 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.4 m -103.05 118.06 35.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.922 -0.581 . . . . 1.1 110.996 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -103.94 119.48 39.01 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.782 0.325 . . . . 1.62 110.399 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.32 128.43 50.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.081 0.467 . . . . 0.46 110.108 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.464 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.4 t80 -109.91 124.05 34.59 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.653 -0.703 . . . . 2.11 110.417 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.3 Cg_endo -60.12 115.07 2.39 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.657 2.238 . . . . 0.51 111.909 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.62 27.34 67.99 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.763 -0.653 . . . . 0.52 112.793 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.24 -169.13 13.38 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.969 -1.11 . . . . 0.41 113.571 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.57 147.61 51.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.197 0.522 . . . . 3.97 112.013 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 t -105.81 159.48 15.97 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.251 -0.648 . . . . 1.07 109.251 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.8 m -146.24 120.13 9.32 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.72 0.295 . . . . 1.11 110.239 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 m -121.68 124.52 44.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.616 -0.265 . . . . 1.04 110.803 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.43 133.99 54.61 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.127 0.489 . . . . 2.22 110.946 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.6 p -111.88 127.29 55.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.568 -0.742 . . . . 1.32 110.18 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.501 ' CD1' ' H5 ' ' A' ' 201' ' ' CHO . 45.7 p90 -136.16 151.97 50.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 1.55 110.847 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.536 ' OG1' ' HB3' ' A' ' 46' ' ' ASP . 97.9 m -120.97 133.03 55.26 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.038 -0.528 . . . . 1.03 109.995 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.7 mm -57.23 127.27 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.829 0.347 . . . . 1.05 111.049 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t70 70.76 24.24 4.3 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.912 0.885 . . . . 1.1 109.629 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.53 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 17.9 tptm -136.93 141.32 42.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.976 -1.011 . . . . 2.09 110.82 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' O ' ' HE2' ' A' ' 67' ' ' LYS . 16.6 pt-20 -69.72 133.88 48.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.368 -0.605 . . . . 2.55 109.368 177.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -127.72 159.63 34.18 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.109 0.48 . . . . 1.04 111.863 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -102.65 124.55 48.4 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.544 -0.91 . . . . 1.95 108.544 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.675 ' SD ' H192 ' A' ' 201' ' ' CHO . 6.1 mtt -129.34 162.18 28.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.763 0.792 . . . . 1.01 112.157 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.659 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -148.3 135.17 20.03 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.128 -1.434 . . . . 1.47 107.128 178.181 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.577 HG22 H222 ' A' ' 201' ' ' CHO . 69.7 p -87.68 176.27 7.5 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.546 -0.462 . . . . 1.03 110.724 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.566 ' HB2' ' H17' ' A' ' 200' ' ' CHO . 20.2 mtp -79.53 -5.62 55.25 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.236 -0.653 . . . . 1.64 109.236 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.22 -11.9 58.04 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.657 -0.701 . . . . 0.48 111.659 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.95 29.79 6.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.149 -0.548 . . . . 0.48 113.301 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.659 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 22.0 mtp85 -97.52 119.3 35.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.986 0.393 . . . . 1.1 110.872 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -98.09 122.5 41.3 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.802 -0.814 . . . . 2.27 108.802 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.769 ' HZ ' H182 ' A' ' 201' ' ' CHO . 51.2 p90 -156.36 169.6 24.22 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.633 0.73 . . . . 2.02 112.704 -178.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.06 137.39 52.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.924 -1.035 . . . . 3.12 108.966 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.63 158.63 44.34 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.934 0.397 . . . . 1.05 111.173 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -104.2 135.7 45.19 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.939 -0.573 . . . . 1.01 109.851 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 t -116.09 145.17 22.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.181 -0.463 . . . . 1.11 110.739 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.447 ' CG ' HG13 ' A' ' 91' ' ' VAL . 15.0 pttt -133.94 175.78 9.16 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.559 -0.534 . . . . 1.79 109.559 179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.0 mtt -128.94 125.66 37.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.846 0.355 . . . . 1.02 111.124 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 6.6 pt-20 -118.14 89.22 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.057 -0.52 . . . . 2.67 111.507 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.64 50.24 44.26 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.061 -0.59 . . . . 0.6 113.074 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.07 17.66 79.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.857 -0.687 . . . . 0.42 112.746 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.41 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -124.03 116.87 23.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.534 -0.543 . . . . 2.39 109.534 179.612 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.1 mt -77.71 110.95 13.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.0 -0.545 . . . . 1.03 110.621 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.447 HG13 ' CG ' ' A' ' 84' ' ' LYS . 3.4 p -113.97 131.99 64.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.151 0.5 . . . . 1.08 110.544 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -113.75 143.66 44.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.856 -0.611 . . . . 1.03 110.535 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -96.79 126.84 42.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.243 -0.435 . . . . 1.19 111.403 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.607 ' CZ ' H181 ' A' ' 201' ' ' CHO . 82.4 m-85 -143.68 152.04 55.13 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 2.2 109.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -68.93 114.11 3.46 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 121.86 1.706 . . . . 0.42 112.306 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 114' ' ' SER . 62.3 t30 62.43 22.91 13.56 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.934 0.873 . . . . 1.9 110.549 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.553 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.7 t80 -142.01 121.23 13.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.344 -0.844 . . . . 2.24 109.769 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -114.06 110.92 20.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.421 -0.585 . . . . 1.37 109.421 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.475 ' ND1' H122 ' A' ' 201' ' ' CHO . 3.4 t60 -115.15 122.88 47.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.228 0.33 . . . . 0.92 111.37 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.7 p -131.89 130.64 41.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.874 -0.603 . . . . 1.03 110.758 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.0 130.26 56.55 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.693 -0.484 . . . . 1.09 109.693 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -155.11 171.27 20.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.012 0.434 . . . . 1.38 111.037 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.7 mm -112.54 128.3 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.598 -0.728 . . . . 1.13 110.074 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.8 m -142.68 116.05 9.03 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.866 -0.42 . . . . 1.86 109.866 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.15 29.31 66.81 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.756 -0.735 . . . . 0.96 111.596 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.93 23.2 78.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.003 -0.618 . . . . 0.62 111.801 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.16 148.67 52.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 1.8 110.891 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.9 tm? -90.91 124.8 35.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.939 -0.763 . . . . 1.49 108.939 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.7 p -130.87 114.1 26.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 121.428 0.632 . . . . 1.1 110.431 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -104.24 120.84 42.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.574 -0.739 . . . . 1.69 109.801 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.37 130.24 48.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.113 -0.494 . . . . 1.14 109.765 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 m -125.33 104.5 8.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.087 -0.506 . . . . 0.6 110.924 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.553 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -95.39 134.59 38.02 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.676 -0.49 . . . . 1.03 109.676 178.492 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.483 ' O ' HG13 ' A' ' 117' ' ' VAL . 6.9 t -153.07 119.54 5.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.921 0.391 . . . . 1.92 110.478 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 m 59.9 25.29 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.705 -0.679 . . . . 1.17 111.983 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.12 -27.24 20.22 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.473 -0.87 . . . . 0.52 113.279 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 114' ' ' SER . 1.7 p -80.31 134.87 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.902 0.382 . . . . 1.24 110.244 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.461 HG11 ' O ' ' A' ' 118' ' ' VAL . 7.2 p -108.98 115.03 48.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.317 0.579 . . . . 1.61 111.425 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.402 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 39.4 t80 -98.94 132.55 44.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.871 -0.604 . . . . 2.13 110.149 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -130.37 139.47 50.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.355 -0.384 . . . . 1.77 110.009 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.0 ptt85 -144.48 123.67 12.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.296 0.569 . . . . 3.06 110.843 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 2.8 m -93.26 125.98 38.13 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.12 -0.945 . . . . 1.13 109.899 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m -120.33 131.1 54.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.757 -0.46 . . . . 0.67 109.757 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.4 pttm -80.03 148.24 31.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.317 -0.401 . . . . 2.01 110.37 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.508 ' HE3' ' HA3' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -94.66 123.1 37.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.212 0.53 . . . . 2.1 110.843 -179.134 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.9 167.03 14.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.717 -0.674 . . . . 1.13 109.623 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.63 -0.7 . . . . 1.27 110.165 178.642 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 1.169 ' C7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 1.169 H262 ' C7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.713 0.292 . . . . 1.69 111.456 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -93.96 -27.15 16.51 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.963 -0.562 . . . . 2.16 110.851 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.7 m -58.72 140.08 55.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 1.02 111.329 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.466 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 132.97 172.53 13.03 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 119.951 -1.119 . . . . 0.24 112.258 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -101.99 143.67 31.56 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.156 -0.683 . . . . 2.15 109.156 178.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.619 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 74.2 m-85 -129.18 139.88 51.73 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.347 -0.388 . . . . 2.2 110.497 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -124.83 151.91 44.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.263 -0.643 . . . . 1.41 109.263 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -48.55 118.96 2.76 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.742 0.651 . . . . 2.7 112.034 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.511 ' OE1' ' HB3' ' A' ' 124' ' ' LYS . 0.8 OUTLIER -110.04 -47.76 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.439 -0.8 . . . . 1.46 109.512 179.204 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m -161.56 174.35 13.49 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.136 -0.484 . . . . 1.28 110.237 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.53 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -156.95 163.71 38.83 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.659 -0.497 . . . . 1.72 109.659 179.835 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 23.6 tt0 -151.12 139.11 20.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 1.44 110.486 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 63.01 33.63 14.62 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.19 0.931 . . . . 1.16 111.954 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.53 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 89.2 t80 -61.57 -59.54 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.667 0.27 . . . . 2.27 111.351 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.15 -44.16 74.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.604 . . . . 1.3 111.182 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.17 -44.67 96.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.962 -0.563 . . . . 1.46 110.571 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.548 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 73.1 t80 -62.71 -55.73 24.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.723 -0.671 . . . . 2.15 111.391 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.47 -35.89 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.08 111.525 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -74.55 -30.54 61.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 1.67 110.873 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -73.4 -45.44 54.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.381 -0.372 . . . . 1.53 111.036 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 17' ' ' PHE . 35.4 pt -74.53 -12.78 15.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.963 0.411 . . . . 1.06 110.901 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.3 36.02 31.99 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.964 -0.636 . . . . 0.42 112.742 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD12 H152 ' A' ' 200' ' ' CHO . 20.6 tp -69.14 132.97 89.84 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.877 -0.416 . . . . 1.11 109.877 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.78 141.67 66.63 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.164 1.909 . . . . 0.4 111.492 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.97 -37.66 53.86 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.526 0.516 . . . . 1.12 111.68 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -57.25 -37.06 71.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.651 -0.704 . . . . 2.03 111.595 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -88.36 -35.33 17.22 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.032 -0.267 . . . . 1.47 110.377 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.41 -58.24 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.852 -0.613 . . . . 1.13 110.603 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.51 -27.25 69.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 1.73 111.405 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.406 ' HE2' ' O ' ' A' ' 30' ' ' MET . 11.0 tpt -75.01 -36.78 61.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.076 -0.511 . . . . 1.63 110.294 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.438 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -114.23 40.15 2.58 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.767 -0.73 . . . . 0.51 113.201 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -101.93 118.01 36.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.346 0.573 . . . . 2.94 110.921 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.13 22.5 11.76 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.592 -0.731 . . . . 2.14 112.078 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.1 m -76.56 148.29 37.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.295 -0.411 . . . . 1.22 110.13 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.61 81.58 7.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.186 0.517 . . . . 3.03 111.488 -179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -82.45 114.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.939 -0.573 . . . . 1.4 109.662 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 6.6 t -79.81 135.09 26.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.073 -0.512 . . . . 1.11 110.29 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 50' ' ' THR . 27.9 m -116.8 107.24 14.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.083 -0.508 . . . . 1.05 109.914 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 2.3 mm-40 -102.16 121.65 42.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.746 0.307 . . . . 1.39 110.782 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 48' ' ' THR . 58.0 t -116.46 134.72 59.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.651 -0.704 . . . . 1.03 111.316 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.4 p -119.74 140.26 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.721 -0.844 . . . . 1.56 108.721 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.454 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 46.1 tp60 -85.35 121.37 27.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.697 0.284 . . . . 2.06 111.198 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -142.17 72.91 1.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 2.31 110.203 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.5 -104.54 1.08 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.162 -0.775 . . . . 0.42 111.162 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.61 7.16 13.54 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.381 0.61 . . . . 0.51 109.358 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.477 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 34.4 t70 -100.89 108.53 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.114 -0.948 . . . . 1.36 108.996 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -106.86 132.98 52.21 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.097 -0.705 . . . . 1.66 109.097 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 70.1 p -99.71 130.72 45.95 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.979 -0.288 . . . . 1.34 110.922 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.635 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -111.11 100.51 9.16 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.66 -0.867 . . . . 0.48 108.66 178.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 38' ' ' THR . 5.2 m -101.03 111.34 23.52 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.08 -0.509 . . . . 1.1 110.671 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.446 ' NE2' HG22 ' A' ' 38' ' ' THR . 5.0 mp0 -100.53 117.37 34.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.477 -0.329 . . . . 1.62 110.197 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.419 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 93.4 m-70 -105.54 132.27 51.91 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.865 -0.42 . . . . 0.46 109.865 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.416 ' CZ ' H211 ' A' ' 200' ' ' CHO . 5.9 t80 -101.24 133.84 20.69 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.942 -0.572 . . . . 2.11 109.806 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.06 112.79 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.08 1.853 . . . . 0.51 111.752 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.76 22.11 67.93 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.961 -0.638 . . . . 0.52 112.489 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.31 -167.53 10.99 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.358 -0.925 . . . . 0.41 113.517 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.08 142.83 50.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.35 0.595 . . . . 3.97 112.167 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -96.9 159.71 14.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.825 -0.625 . . . . 1.07 110.109 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -139.47 108.8 6.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.36 -0.382 . . . . 1.11 110.005 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.6 m -113.44 129.93 56.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.052 0.39 . . . . 1.04 112.052 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -132.79 142.64 49.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.716 -0.476 . . . . 2.22 109.716 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.2 p -124.31 122.82 38.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.105 -0.702 . . . . 1.32 109.105 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.535 ' CE2' ' H5 ' ' A' ' 201' ' ' CHO . 48.5 p90 -130.58 139.34 50.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.397 0.618 . . . . 1.55 112.509 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 46' ' ' ASP . 39.3 m -103.36 127.43 50.72 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.027 -0.988 . . . . 1.03 108.715 178.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.2 mm -55.39 127.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.058 0.224 . . . . 1.05 110.579 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t0 75.81 20.08 1.85 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.163 0.914 . . . . 1.1 110.433 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 25.2 tptt -135.12 146.15 48.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.502 -0.772 . . . . 2.09 110.279 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 36.4 mp0 -74.72 124.01 25.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.035 -0.529 . . . . 2.55 109.728 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -116.81 156.25 27.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.176 0.513 . . . . 1.04 112.178 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.16 122.85 35.96 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.304 -0.999 . . . . 1.95 108.304 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.576 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 8.9 mtt -127.41 166.08 18.58 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.432 0.634 . . . . 1.01 112.176 -178.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.654 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 22.6 tt0 -148.18 146.79 28.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.456 -1.247 . . . . 1.47 108.93 178.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.537 HG21 H162 ' A' ' 201' ' ' CHO . 26.1 p -100.45 169.21 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.489 -0.56 . . . . 1.03 109.489 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.678 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 34.2 mtt -73.95 -0.57 16.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.222 0.534 . . . . 1.64 110.129 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.48 -8.21 61.26 Favored Glycine 0 N--CA 1.439 -1.144 0 N-CA-C 110.831 -0.908 . . . . 0.48 110.831 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.29 34.37 6.75 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 121.02 -0.609 . . . . 0.48 112.749 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.654 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 18.7 mtp180 -100.67 126.47 47.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.948 -0.148 . . . . 1.1 111.169 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -103.81 121.52 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.977 -0.749 . . . . 2.27 108.977 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.736 ' HZ ' H182 ' A' ' 201' ' ' CHO . 45.6 p90 -155.61 176.39 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.027 0.441 . . . . 2.02 111.65 -178.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.26 145.55 51.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.761 -0.829 . . . . 3.12 108.761 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.69 159.6 39.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 1.05 111.51 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -101.08 130.04 47.05 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.126 -0.488 . . . . 1.01 110.297 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.0 t -114.26 139.66 38.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.219 -0.446 . . . . 1.11 110.209 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -130.2 -179.98 5.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.659 -0.497 . . . . 1.79 109.659 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mtt -127.51 135.2 50.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.696 0.284 . . . . 1.02 110.33 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -120.56 91.0 3.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.135 -0.484 . . . . 2.67 111.402 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.95 50.03 63.63 Favored Glycine 0 CA--C 1.516 0.147 0 C-N-CA 121.027 -0.606 . . . . 0.6 113.77 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.61 15.09 81.36 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.466 -0.873 . . . . 0.42 113.25 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -127.5 125.73 40.98 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.813 -0.81 . . . . 2.39 108.813 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 100' ' ' THR . 3.3 mt -78.35 122.71 33.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.819 0.342 . . . . 1.03 111.116 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.78 130.35 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 121.422 0.63 . . . . 1.08 110.588 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.756 ' HB3' ' H12' ' A' ' 201' ' ' CHO . . . -109.14 138.41 45.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.627 -0.715 . . . . 1.03 110.508 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.43 125.99 39.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.236 0.541 . . . . 1.19 111.712 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.536 ' CZ ' H181 ' A' ' 201' ' ' CHO . 66.6 m-85 -148.8 156.87 41.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.289 -0.869 . . . . 2.2 110.975 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.86 114.55 4.0 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.281 1.987 . . . . 0.42 111.775 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.545 ' O ' ' HA ' ' A' ' 114' ' ' SER . 55.0 m-80 64.16 16.05 9.76 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.187 0.595 . . . . 1.9 111.478 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.489 ' HB3' ' HB2' ' A' ' 94' ' ' PHE . 3.7 t80 -133.37 130.85 39.35 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.623 -0.51 . . . . 2.24 109.623 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -126.98 105.87 8.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.826 -0.624 . . . . 1.37 109.507 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.704 ' ND1' H122 ' A' ' 201' ' ' CHO . 1.6 t60 -110.71 118.34 35.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.535 -0.302 . . . . 0.92 111.766 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 33.0 p -128.45 130.69 47.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.003 -0.544 . . . . 1.03 110.477 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.41 130.38 56.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.046 -0.524 . . . . 1.09 109.964 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -151.96 168.09 26.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.178 0.513 . . . . 1.38 110.981 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.7 mm -109.81 123.86 66.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.241 -0.891 . . . . 1.13 110.165 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 m -130.79 103.42 6.57 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.099 0.476 . . . . 1.86 110.472 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.93 32.32 63.7 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.59 -0.732 . . . . 0.96 112.716 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.25 21.37 73.38 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.709 -0.758 . . . . 0.62 111.987 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.5 140.06 51.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.758 0.313 . . . . 1.8 110.428 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.2 tm? -85.9 118.06 25.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.852 -0.795 . . . . 1.49 108.852 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.14 105.94 16.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-O 121.485 0.659 . . . . 1.1 109.806 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -96.12 135.05 38.44 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.532 -0.758 . . . . 1.69 110.309 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.493 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.1 mp -113.52 128.47 70.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.136 -0.69 . . . . 1.14 109.136 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.9 m -123.59 103.67 8.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.874 -0.603 . . . . 0.6 110.099 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -92.2 123.68 35.72 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.214 -0.448 . . . . 1.03 110.094 179.208 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 62.8 m -133.16 106.58 7.67 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 121.118 0.485 . . . . 1.92 110.406 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.3 m 58.24 35.4 24.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.955 -1.02 . . . . 1.17 111.797 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.53 -36.75 4.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.64 -0.791 . . . . 0.52 113.528 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.67 119.68 19.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.863 0.363 . . . . 1.24 110.958 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.5 t -95.53 110.12 23.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 1.61 111.105 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -97.88 128.16 44.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.958 -0.565 . . . . 2.13 109.714 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.493 ' HG2' HG13 ' A' ' 111' ' ' ILE . 52.2 mttt -119.23 141.69 48.69 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.706 0.289 . . . . 1.77 110.618 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -137.13 119.93 16.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.411 0.624 . . . . 3.06 109.888 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.81 132.84 43.06 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.44 -0.8 . . . . 1.13 109.88 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.6 m -134.65 131.81 38.21 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.941 0.401 . . . . 0.67 110.042 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.511 ' HB3' ' OE1' ' A' ' 9' ' ' GLU . 65.4 pttt -79.77 149.7 31.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.263 -0.426 . . . . 2.01 111.061 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.619 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -90.72 117.7 29.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.152 0.501 . . . . 2.1 110.245 179.314 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.544 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -133.17 169.75 21.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.449 -0.796 . . . . 1.13 109.774 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.405 0 CA-C-O 118.38 -0.819 . . . . 1.27 109.244 177.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 1.052 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 1.052 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.494 0.188 . . . . 1.69 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -91.1 -24.04 20.12 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.12 -0.232 . . . . 2.16 111.132 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -64.02 144.67 56.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 1.02 111.711 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.03 169.0 12.42 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.585 -0.817 . . . . 0.24 111.948 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 142.36 29.39 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.833 -1.173 . . . . 2.15 107.833 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 82.7 m-85 -128.22 138.89 52.65 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.801 0.334 . . . . 2.2 110.645 -178.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -119.71 152.02 37.83 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.155 -0.475 . . . . 1.41 109.953 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.49 121.53 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.804 0.69 . . . . 2.7 111.106 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 122' ' ' THR . 2.0 tt0 -117.65 -43.75 2.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 1.46 110.994 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -154.31 172.77 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.311 . . . . 1.28 111.469 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.32 153.22 27.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.751 -0.659 . . . . 1.72 110.292 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.46 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 30.1 tt0 -147.33 137.54 23.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.474 -0.784 . . . . 1.44 110.259 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 60.81 34.77 19.64 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.294 -0.866 . . . . 1.16 111.24 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -64.31 -58.46 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 2.27 111.541 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.31 -39.03 88.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.3 111.488 -178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 4.2 m-20 -63.44 -40.33 96.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.193 0.521 . . . . 1.46 110.08 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -66.59 -55.64 14.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.209 -0.905 . . . . 2.15 111.444 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.7 m -59.22 -38.55 75.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 1.08 112.046 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -72.93 -28.23 62.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 1.67 111.084 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 16' ' ' ASP . 37.2 tptt -76.54 -44.73 33.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.217 -0.447 . . . . 1.53 111.709 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.3 pt -77.03 -14.21 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.283 -0.417 . . . . 1.06 112.063 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.37 36.12 15.42 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.581 -0.819 . . . . 0.42 112.819 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.658 HD11 H152 ' A' ' 200' ' ' CHO . 16.0 tp -70.94 133.53 86.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.16 -0.682 . . . . 1.11 109.16 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' HG13 ' A' ' 28' ' ' ILE . 28.6 Cg_endo -65.9 140.2 59.85 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.148 1.899 . . . . 0.4 111.324 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.79 -34.92 60.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 1.12 110.999 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.72 -43.98 69.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 2.03 111.009 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.654 ' HB3' H162 ' A' ' 200' ' ' CHO . 73.6 mmtt -88.62 -29.97 19.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.104 -0.498 . . . . 1.47 110.776 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 24' ' ' PRO . 67.9 mt -58.55 -58.28 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 1.13 110.403 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.516 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 16.4 mm-40 -67.65 -24.58 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 1.73 111.369 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.424 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 9.8 tpt -81.42 -22.79 37.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.889 -0.596 . . . . 1.63 111.471 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.572 ' CA ' H212 ' A' ' 200' ' ' CHO . . . -114.93 19.71 15.29 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 119.94 -1.124 . . . . 0.51 113.471 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.516 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.3 ptp180 -107.29 131.46 54.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.289 0.545 . . . . 2.94 110.872 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.23 9.4 6.31 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.683 -0.689 . . . . 2.14 111.774 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.4 m -82.36 158.27 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.287 -0.415 . . . . 1.22 110.29 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -93.85 98.21 10.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.517 0.675 . . . . 3.03 112.01 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.17 123.2 55.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.513 -0.767 . . . . 1.4 109.472 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -94.68 130.38 43.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.115 -0.493 . . . . 1.11 110.347 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' ' 50' ' ' THR . 40.1 m -110.78 105.88 14.88 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.874 -0.417 . . . . 1.05 109.874 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -98.5 111.12 23.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.888 0.375 . . . . 1.39 110.309 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 48' ' ' THR . 60.6 t -104.26 127.35 58.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 1.03 111.675 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.66 130.16 70.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.859 -0.793 . . . . 1.56 108.859 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 64.8 tt0 -90.01 121.81 32.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.153 0.501 . . . . 2.06 111.897 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -134.65 74.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.508 -0.769 . . . . 2.31 109.009 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.77 -101.88 1.15 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.657 -0.977 . . . . 0.42 110.657 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.51 10.9 12.77 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.942 -0.762 . . . . 0.51 108.942 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -106.44 111.7 24.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.875 -1.057 . . . . 1.36 109.715 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.2 135.67 51.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.052 0.453 . . . . 1.66 110.403 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 1.2 p -102.32 122.94 45.23 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.151 -0.477 . . . . 1.34 111.03 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.569 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -99.31 103.12 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.06 -0.718 . . . . 0.48 109.06 179.106 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.4 m -105.62 109.77 21.86 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.019 -0.537 . . . . 1.1 111.114 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.428 ' NE2' HG23 ' A' ' 38' ' ' THR . 9.4 mp0 -101.17 118.55 37.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.315 -0.402 . . . . 1.62 110.541 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -101.63 124.51 47.4 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.996 -0.547 . . . . 0.46 110.655 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.474 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 6.7 t80 -102.23 133.44 20.6 Favored Pre-proline 0 N--CA 1.443 -0.796 0 CA-C-N 115.95 -0.568 . . . . 2.11 109.577 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 48.3 Cg_endo -69.92 113.67 3.48 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.874 1.716 . . . . 0.51 111.392 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.42 28.67 73.87 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 121.263 -0.494 . . . . 0.52 113.514 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.22 -166.04 12.18 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.536 -0.84 . . . . 0.41 112.795 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.511 HH21 H221 ' A' ' 200' ' ' CHO . 0.0 OUTLIER -72.41 148.07 45.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.01 0.434 . . . . 3.97 111.212 -179.664 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.5 t -97.81 155.93 16.82 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.372 -0.603 . . . . 1.07 109.372 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -132.99 108.14 8.71 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.721 -0.474 . . . . 1.11 109.721 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 m -122.61 120.47 33.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.274 -0.421 . . . . 1.04 111.478 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -125.03 131.91 53.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.326 -0.397 . . . . 2.22 110.17 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.3 p -107.45 123.42 48.38 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.35 -0.611 . . . . 1.32 109.35 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -134.76 144.44 47.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.571 0.7 . . . . 1.55 112.338 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.6 m -111.46 133.45 53.74 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.186 -0.915 . . . . 1.03 109.547 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.89 129.48 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.655 0.264 . . . . 1.05 110.963 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 t70 73.4 19.79 3.35 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.207 1.003 . . . . 1.1 110.2 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HE3' ' HG3' ' A' ' 68' ' ' GLU . 34.8 tptt -136.64 144.34 43.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.7 -0.682 . . . . 2.09 110.626 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' HG3' ' HE3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -69.84 146.32 51.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.171 -0.677 . . . . 2.55 109.171 177.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -137.64 149.4 46.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.905 0.383 . . . . 1.04 111.699 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.34 117.04 22.11 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.807 -1.183 . . . . 1.95 107.807 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.481 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 28.2 mtt -120.05 166.03 13.92 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.389 0.614 . . . . 1.01 112.196 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 3.1 tt0 -156.07 147.11 22.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.896 -1.047 . . . . 1.47 108.866 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.519 HG22 H222 ' A' ' 201' ' ' CHO . 14.1 p -102.02 168.02 9.66 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 120.958 0.409 . . . . 1.03 109.913 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.675 ' HB2' ' H14' ' A' ' 200' ' ' CHO . 43.4 mtt -68.66 -13.92 62.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.055 -0.521 . . . . 1.64 110.58 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.28 -12.1 71.04 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.798 -0.521 . . . . 0.48 111.798 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.91 52.3 1.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.146 -0.55 . . . . 0.48 112.853 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.56 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.5 mtp85 -114.06 120.69 41.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.204 -0.295 . . . . 1.1 110.204 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -93.25 121.65 34.84 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.539 -0.541 . . . . 2.27 109.539 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.766 ' HZ ' H182 ' A' ' 201' ' ' CHO . 42.3 p90 -161.9 177.22 10.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.114 0.483 . . . . 2.02 111.71 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -140.98 141.22 34.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.57 -0.741 . . . . 3.12 109.692 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.99 162.16 39.34 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.131 -0.486 . . . . 1.05 111.399 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -100.73 129.95 46.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 1.01 110.203 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.4 t -110.77 144.38 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.443 -0.344 . . . . 1.11 110.643 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -135.74 176.53 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.721 -0.474 . . . . 1.79 109.721 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 mtt -128.0 132.85 49.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.618 0.246 . . . . 1.02 111.123 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.14 81.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.314 -0.403 . . . . 2.67 110.685 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.93 55.13 14.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.165 -0.54 . . . . 0.6 113.134 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.43 22.33 77.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.899 -0.667 . . . . 0.42 112.555 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -130.84 111.97 12.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.465 -0.568 . . . . 2.39 109.465 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 mt -72.83 121.83 24.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 1.03 110.77 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.91 136.29 61.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.283 0.563 . . . . 1.08 110.38 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.58 ' HB1' ' H12' ' A' ' 201' ' ' CHO . . . -116.44 133.06 56.46 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.661 -0.7 . . . . 1.03 110.363 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -91.7 122.61 34.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.436 0.636 . . . . 1.19 111.755 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CZ ' H181 ' A' ' 201' ' ' CHO . 69.7 m-85 -140.32 156.67 69.7 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.097 -0.956 . . . . 2.2 109.961 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -67.15 111.7 2.32 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 121.773 1.649 . . . . 0.42 111.878 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.443 ' O ' ' HA ' ' A' ' 114' ' ' SER . 3.4 t-20 62.83 20.01 11.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.636 -0.711 . . . . 1.9 110.854 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.515 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.7 t80 -138.19 126.67 23.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 2.24 109.577 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.461 ' O ' ' HA ' ' A' ' 112' ' ' SER . 0.2 OUTLIER -124.2 110.37 14.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.662 -0.699 . . . . 1.37 110.122 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.734 ' ND1' H122 ' A' ' 201' ' ' CHO . 2.6 t60 -106.68 120.15 41.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.613 -0.267 . . . . 0.92 110.421 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.7 p -129.11 132.32 47.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.591 -0.277 . . . . 1.03 110.742 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.42 128.2 50.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.412 -0.358 . . . . 1.09 110.96 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -146.37 172.27 13.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.055 0.455 . . . . 1.38 110.939 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.8 mm -111.47 110.74 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.294 -0.632 . . . . 1.13 109.294 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 72.7 m -119.05 105.05 11.04 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.716 -0.675 . . . . 1.86 110.408 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.06 30.71 58.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.951 -0.643 . . . . 0.96 112.288 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.39 15.55 79.76 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.58 -0.819 . . . . 0.62 112.446 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -125.8 144.95 50.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.588 0.194 . . . . 1.8 110.999 -179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.06 106.44 18.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.226 -0.657 . . . . 1.49 109.226 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -109.39 114.43 46.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.758 -0.655 . . . . 1.1 109.809 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.453 ' CD ' HH12 ' A' ' 121' ' ' ARG . 50.6 mt-10 -102.57 128.81 49.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.814 -0.63 . . . . 1.69 110.38 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.521 HG13 ' HG2' ' A' ' 120' ' ' LYS . 3.8 mp -108.92 133.65 53.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.658 -0.701 . . . . 1.14 110.271 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 50.9 m -127.6 110.73 12.99 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.605 -0.517 . . . . 0.6 109.605 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.515 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -98.6 131.85 44.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.429 -0.35 . . . . 1.03 110.486 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 56.3 m -148.06 114.75 6.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.924 0.392 . . . . 1.92 110.309 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m 59.23 27.5 16.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.302 -0.863 . . . . 1.17 111.862 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 101.76 -20.37 46.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.52 113.12 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.0 t -82.21 120.75 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.908 0.354 . . . . 1.24 110.341 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 51.8 t -98.11 107.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.042 -0.526 . . . . 1.61 110.856 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -92.79 123.19 35.89 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.691 -0.686 . . . . 2.13 110.123 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.521 ' HG2' HG13 ' A' ' 111' ' ' ILE . 23.1 mttt -121.38 141.16 51.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.863 0.363 . . . . 1.77 111.114 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.453 HH12 ' CD ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -147.52 117.7 7.32 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.206 0.526 . . . . 3.06 110.35 177.215 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 32.1 m -88.69 139.01 30.9 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.569 -0.742 . . . . 1.13 110.051 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.86 135.64 49.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.208 -0.451 . . . . 0.67 110.384 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 18.8 pttp -82.97 153.39 25.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.662 0.268 . . . . 2.01 110.968 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.409 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -94.85 127.6 40.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 2.1 110.975 -179.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.489 HG12 ' HZ1' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -145.19 167.27 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.644 -0.707 . . . . 1.13 109.31 179.254 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 CA-C-O 118.379 -0.82 . . . . 1.27 109.935 178.38 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.908 ' HO7' ' H41' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.766 H182 ' HZ ' ' A' ' 79' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 111.54 0.2 . . . . 1.69 111.54 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -89.57 -24.42 21.73 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.15 0.426 . . . . 2.16 112.15 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.49 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.3 m -67.81 138.82 56.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.113 0.412 . . . . 1.02 112.113 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.82 169.19 11.87 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.705 -0.76 . . . . 0.24 112.173 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -95.22 142.84 27.17 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.003 -0.74 . . . . 2.15 109.003 178.49 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.589 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 91.4 m-85 -125.75 139.47 53.49 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.426 -0.352 . . . . 2.2 111.061 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -122.81 147.88 46.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.318 -0.401 . . . . 1.41 110.55 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.43 ' HB3' ' HA ' ' A' ' 35' ' ' LYS . 19.9 t80 -48.69 124.52 8.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.307 -0.86 . . . . 2.7 111.421 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -124.41 -51.54 1.74 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.468 -0.787 . . . . 1.46 109.902 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.4 ' HB2' ' HB ' ' A' ' 122' ' ' THR . 20.2 m -145.53 152.98 40.6 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.736 -0.666 . . . . 1.28 109.805 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -146.77 156.99 43.56 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.45 -0.574 . . . . 1.72 109.45 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -154.21 141.56 19.63 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.272 0.471 . . . . 1.44 112.272 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.66 35.99 6.66 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.03 -0.986 . . . . 1.16 112.186 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -69.81 -56.52 6.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.96 -0.564 . . . . 2.27 111.245 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.441 ' HA ' HG21 ' A' ' 18' ' ' VAL . 2.0 m-20 -60.45 -41.12 93.43 Favored 'General case' 0 CA--C 1.517 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.3 112.072 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -38.69 92.14 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.201 0.524 . . . . 1.46 110.425 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.447 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 61.5 t80 -69.6 -52.16 28.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.358 -0.837 . . . . 2.15 110.897 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG21 ' HA ' ' A' ' 15' ' ' ASP . 32.0 m -64.05 -39.42 85.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.0 -0.545 . . . . 1.08 111.597 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -67.27 -26.0 66.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.9 0.381 . . . . 1.67 110.578 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -80.77 -47.77 13.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.253 -0.43 . . . . 1.53 111.768 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.4 pt -73.93 -5.73 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 111.786 0.291 . . . . 1.06 111.786 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.73 35.18 46.68 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.844 -0.693 . . . . 0.42 113.168 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 tp -68.99 133.43 90.0 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.404 -0.591 . . . . 1.11 109.404 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -64.17 142.14 78.99 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.35 2.033 . . . . 0.4 111.529 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.04 63.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 1.12 111.205 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -53.94 -42.57 68.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.195 -0.911 . . . . 2.03 111.317 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.533 ' HD2' H222 ' A' ' 200' ' ' CHO . 51.8 mmtt -88.08 -33.13 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.903 -0.319 . . . . 1.47 110.825 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.0 mt -57.06 -55.23 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.072 0.463 . . . . 1.13 110.828 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.502 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 52.0 mm-40 -68.28 -28.76 67.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.69 -0.686 . . . . 1.73 111.839 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.456 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.7 tpt -76.87 -28.76 55.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.12 -0.491 . . . . 1.63 111.426 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.609 ' CA ' H212 ' A' ' 200' ' ' CHO . . . -110.03 23.57 20.92 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.204 -0.998 . . . . 0.51 113.975 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.502 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.2 ptp180 -110.87 135.36 51.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.685 0.743 . . . . 2.94 110.417 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 65.67 16.85 10.68 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.796 -0.638 . . . . 2.14 110.716 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.7 m -91.48 154.2 19.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.066 -0.515 . . . . 1.22 110.914 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -93.38 91.79 7.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.235 0.54 . . . . 3.03 111.761 -179.465 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 mp -90.31 136.16 24.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.819 -0.628 . . . . 1.4 109.412 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -104.95 132.41 51.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.681 -0.236 . . . . 1.11 110.905 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.755 ' HA ' ' O ' ' A' ' 50' ' ' THR . 73.4 m -115.25 110.19 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.441 -0.345 . . . . 1.05 110.285 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' A' ' 5' ' ' LYS . 51.9 mt-10 -101.44 117.41 34.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.882 0.372 . . . . 1.39 110.096 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 48' ' ' THR . 96.6 t -108.65 127.04 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.53 -0.759 . . . . 1.03 112.495 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.1 t -113.98 126.55 71.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.71 -0.848 . . . . 1.56 108.71 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.49 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 24.6 tt0 -89.39 102.91 15.58 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.268 0.47 . . . . 2.06 112.268 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 70.7 m-20 -109.58 72.4 0.8 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.303 -0.628 . . . . 2.31 109.303 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.04 -101.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 111.14 -0.784 . . . . 0.42 111.14 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.29 5.22 23.46 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.206 -0.664 . . . . 0.51 109.206 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 15.4 t70 -105.47 111.28 23.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.274 -0.875 . . . . 1.36 110.35 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -107.34 133.25 52.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.041 -0.527 . . . . 1.66 109.969 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 61.9 p -95.95 134.68 38.67 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.922 0.391 . . . . 1.34 110.923 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.721 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -114.61 102.59 10.18 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.865 -0.791 . . . . 0.48 108.865 178.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.755 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.9 m -104.96 120.12 40.68 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.117 -0.492 . . . . 1.1 110.395 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -107.53 116.82 32.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.203 -0.295 . . . . 1.62 110.203 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -105.86 135.57 47.06 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.79 -0.448 . . . . 0.46 109.79 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.464 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 8.3 t80 -109.37 131.67 21.73 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 116.297 -0.41 . . . . 2.11 110.617 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.0 Cg_endo -63.13 114.27 2.39 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.31 2.007 . . . . 0.51 111.295 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.69 24.56 72.72 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.86 -0.686 . . . . 0.52 113.04 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.84 -171.7 16.37 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.101 -1.047 . . . . 0.41 113.484 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.23 147.91 46.42 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.536 0.569 . . . . 3.97 112.536 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 t -104.17 160.21 15.05 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.802 -0.814 . . . . 1.07 108.802 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.16 128.72 24.46 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.509 -0.314 . . . . 1.11 110.294 -178.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 m -135.19 127.59 30.42 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.459 -0.496 . . . . 1.04 112.256 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.558 ' OD1' ' H62' ' A' ' 201' ' ' CHO . 6.8 p30 -139.94 141.38 36.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.443 -0.577 . . . . 2.22 109.443 178.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.7 p -118.15 126.07 51.49 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.201 -0.666 . . . . 1.32 109.201 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE2' ' H5 ' ' A' ' 201' ' ' CHO . 46.2 p90 -122.81 147.02 47.01 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.312 0.577 . . . . 1.55 111.703 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 65.8 m -111.76 125.74 54.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.268 -0.878 . . . . 1.03 109.599 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.0 mm -53.27 128.28 12.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.648 0.261 . . . . 1.05 110.835 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.5 t70 73.89 18.48 3.31 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.289 -0.869 . . . . 1.1 110.22 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 40.7 tptt -137.86 150.51 47.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.214 -0.903 . . . . 2.09 110.021 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -77.35 151.02 35.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.959 -0.756 . . . . 2.55 108.959 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 80' ' ' LYS . . . -137.42 152.64 49.83 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.025 0.379 . . . . 1.04 112.025 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.57 113.6 21.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.276 -0.875 . . . . 1.95 109.0 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.591 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.4 mtt -120.41 168.74 10.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.486 0.66 . . . . 1.01 112.606 -178.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.713 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.4 tt0 -154.75 140.23 17.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.043 -0.981 . . . . 1.47 109.095 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 p -95.0 169.95 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.97 0.414 . . . . 1.03 110.403 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.769 ' SD ' H122 ' A' ' 200' ' ' CHO . 52.4 mtt -66.91 -13.24 61.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 1.64 110.143 178.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.02 -7.54 73.77 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.781 -0.645 . . . . 0.48 111.675 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.93 53.68 2.64 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.095 -0.574 . . . . 0.48 111.943 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.713 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 10.6 mtp180 -118.12 123.82 46.51 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.302 -0.159 . . . . 1.1 111.057 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -96.55 122.3 39.31 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.445 -0.576 . . . . 2.27 109.445 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.618 ' HZ ' H182 ' A' ' 201' ' ' CHO . 45.2 p90 -155.43 168.87 25.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.045 0.45 . . . . 2.02 111.345 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 69' ' ' ALA . 2.1 mtpp -132.62 136.85 46.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.711 -0.677 . . . . 3.12 109.29 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -143.94 160.41 40.88 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.282 -0.417 . . . . 1.05 111.438 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -97.45 131.13 44.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.875 -0.602 . . . . 1.01 109.752 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.0 t -115.04 142.96 25.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.973 -0.38 . . . . 1.11 109.973 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.414 ' CG ' HG11 ' A' ' 91' ' ' VAL . 21.7 pttt -133.99 175.75 9.19 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.065 -0.346 . . . . 1.79 110.065 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mtt -127.73 118.08 23.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.579 -0.526 . . . . 1.02 109.579 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.2 104.4 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.403 -0.362 . . . . 2.67 110.772 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.35 37.42 47.81 Favored Glycine 0 CA--C 1.516 0.105 0 C-N-CA 121.219 -0.515 . . . . 0.6 112.475 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.25 27.8 71.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.504 -0.855 . . . . 0.42 111.774 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -131.07 127.12 37.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.151 -0.314 . . . . 2.39 110.151 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.3 mt -80.38 110.15 15.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.719 -0.474 . . . . 1.03 109.719 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.414 HG11 ' CG ' ' A' ' 84' ' ' LYS . 3.2 p -115.98 134.96 57.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.196 0.522 . . . . 1.08 111.003 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.76 ' HB3' ' H12' ' A' ' 201' ' ' CHO . . . -114.88 142.89 45.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.711 -0.677 . . . . 1.03 110.421 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -102.76 123.63 46.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.173 0.511 . . . . 1.19 111.709 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.555 ' CZ ' H181 ' A' ' 201' ' ' CHO . 80.3 m-85 -138.88 157.2 72.07 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.144 -0.935 . . . . 2.2 109.66 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.37 112.54 2.38 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 121.554 1.503 . . . . 0.42 111.259 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 114' ' ' SER . 61.6 t30 65.52 12.01 7.86 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.021 -0.536 . . . . 1.9 111.356 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.593 ' CE1' H211 ' A' ' 201' ' ' CHO . 2.7 t80 -134.3 123.02 23.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.437 -0.579 . . . . 2.24 109.437 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.7 t60 -121.01 117.13 26.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.8 -0.636 . . . . 1.37 109.34 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.682 ' ND1' H122 ' A' ' 201' ' ' CHO . 4.5 t60 -112.24 128.42 56.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.684 -0.235 . . . . 0.92 110.823 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.0 p -134.83 130.3 35.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.391 -0.368 . . . . 1.03 110.368 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.83 136.59 53.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.463 -0.335 . . . . 1.09 110.328 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -154.52 175.25 13.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.942 0.401 . . . . 1.38 110.841 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 32.6 mm -117.55 116.99 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 1.13 109.607 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.8 m -128.96 108.01 10.07 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.994 -0.548 . . . . 1.86 110.546 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.9 28.83 55.95 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.792 -0.64 . . . . 0.96 112.042 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.45 22.15 73.59 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.856 -0.688 . . . . 0.62 112.284 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -133.62 151.02 51.6 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.005 0.431 . . . . 1.8 110.409 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.465 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.6 tm? -89.96 121.16 31.8 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.163 -0.926 . . . . 1.49 109.841 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.3 p -122.66 122.05 65.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.075 0.464 . . . . 1.1 109.981 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -108.25 134.45 51.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 1.69 110.12 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.11 130.45 72.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.738 -0.664 . . . . 1.14 109.94 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 15.1 m -126.44 115.49 19.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.101 -0.499 . . . . 0.6 110.406 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -101.24 130.06 47.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.249 -0.432 . . . . 1.03 110.844 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 73.2 m -145.71 114.68 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.788 -0.449 . . . . 1.92 109.788 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 m 59.5 25.84 14.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.661 -0.699 . . . . 1.17 111.475 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 99.18 -10.45 61.7 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.554 -0.831 . . . . 0.52 112.685 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 113' ' ' THR . 57.8 t -86.02 116.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.828 0.314 . . . . 1.24 110.402 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 92.6 t -94.87 105.21 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.252 -0.431 . . . . 1.61 110.618 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -94.71 131.06 40.94 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.708 -0.678 . . . . 2.13 109.215 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -130.02 146.84 51.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.933 0.397 . . . . 1.77 111.905 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.567 ' NH1' ' H22' ' A' ' 200' ' ' CHO . 14.1 ptt-85 -144.98 136.94 25.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.532 -0.758 . . . . 3.06 109.917 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.4 ' HB ' ' HB2' ' A' ' 10' ' ' SER . 58.2 m -114.07 121.37 43.61 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.778 -0.646 . . . . 1.13 110.332 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.427 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 18.5 m -118.46 132.24 56.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.975 0.417 . . . . 0.67 110.515 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 18.4 pttm -76.49 159.04 30.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 2.01 110.44 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.18 129.11 46.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 2.1 111.494 -178.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.446 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -146.43 167.51 7.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.321 -0.854 . . . . 1.13 109.099 179.117 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.098 -0.953 . . . . 1.27 109.484 178.751 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.942 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.942 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.671 0.272 . . . . 1.69 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -80.86 -26.01 37.27 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.914 0.338 . . . . 2.16 111.914 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -61.47 140.79 58.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.513 0.56 . . . . 1.02 112.513 -178.839 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 135.5 164.65 10.45 Favored Glycine 0 N--CA 1.438 -1.205 0 C-N-CA 120.533 -0.841 . . . . 0.24 112.932 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 140.41 29.75 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.125 -1.065 . . . . 2.15 108.125 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.646 ' CE2' ' HG2' ' A' ' 125' ' ' LYS . 88.7 m-85 -126.52 147.17 49.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.681 0.277 . . . . 2.2 111.156 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -130.75 152.81 49.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.447 -0.342 . . . . 1.41 110.111 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 6.9 t80 -47.54 116.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.111 0.882 . . . . 2.7 111.816 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -114.77 -40.53 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 1.46 110.407 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.55 169.48 24.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.374 -0.376 . . . . 1.28 111.06 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -156.89 152.47 26.8 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.065 -0.516 . . . . 1.72 110.03 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -148.38 136.78 21.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.003 -0.544 . . . . 1.44 109.772 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 63.54 34.57 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.996 0.81 . . . . 1.16 111.068 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -63.36 -59.25 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 2.27 111.825 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.435 ' HA ' HG22 ' A' ' 18' ' ' VAL . 25.8 m-20 -60.4 -38.6 84.49 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.328 -0.396 . . . . 1.3 111.565 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -40.81 97.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 1.46 110.137 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.478 ' O ' HG12 ' A' ' 21' ' ' ILE . 57.5 t80 -66.19 -53.07 41.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.612 -0.722 . . . . 2.15 111.053 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.3 m -62.23 -37.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.973 -0.558 . . . . 1.08 111.778 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.494 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER -74.45 -26.99 60.39 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.775 -0.37 . . . . 1.67 111.585 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -76.56 -44.57 34.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.385 -0.371 . . . . 1.53 111.217 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.4 pt -76.19 -13.27 14.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.399 -0.364 . . . . 1.06 111.483 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.62 32.42 30.49 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.95 -0.643 . . . . 0.42 112.892 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.684 HD11 H152 ' A' ' 200' ' ' CHO . 16.6 tp -67.37 134.66 93.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.591 -0.522 . . . . 1.11 109.591 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.431 ' O ' HG13 ' A' ' 28' ' ' ILE . 27.5 Cg_endo -63.61 139.04 67.72 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.052 1.835 . . . . 0.4 111.528 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.99 -37.48 64.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.926 -0.579 . . . . 1.12 111.485 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 30' ' ' MET . 18.5 t70 -56.94 -40.32 76.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.713 -0.676 . . . . 2.03 111.154 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -87.48 -30.0 20.96 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.474 -0.33 . . . . 1.47 110.441 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 24' ' ' PRO . 61.8 mt -60.19 -54.95 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 1.13 109.886 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 43.0 mm-40 -65.31 -33.94 77.15 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.139 -0.937 . . . . 1.73 110.103 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.527 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.3 tpt -65.42 -40.04 92.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.196 -0.911 . . . . 1.63 111.371 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.5 25.68 22.31 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 115.419 0.927 . . . . 0.51 115.419 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.9 ptp180 -104.79 128.6 52.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 118.141 0.971 . . . . 2.94 111.05 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.17 21.5 12.57 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.301 -0.863 . . . . 2.14 110.814 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.1 m -89.96 141.64 28.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.782 -0.645 . . . . 1.22 110.101 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HG2' ' HG3' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -72.64 85.62 1.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.176 0.512 . . . . 3.03 111.894 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mm -83.27 126.31 40.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.777 -0.647 . . . . 1.4 109.972 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 2.8 t -98.0 130.56 46.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.777 -0.453 . . . . 1.11 109.777 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.749 ' HA ' ' O ' ' A' ' 50' ' ' THR . 24.8 m -118.86 104.82 10.9 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 123.487 0.492 . . . . 1.05 110.024 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -94.22 113.98 26.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.15 -0.315 . . . . 1.39 110.15 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 48' ' ' THR . 60.2 t -107.46 121.92 61.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.543 -0.753 . . . . 1.03 111.985 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.64 134.36 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.433 -0.951 . . . . 1.56 108.433 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.492 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 6.3 tt0 -99.72 112.36 24.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.216 0.531 . . . . 2.06 111.128 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -126.79 78.86 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.731 -0.668 . . . . 2.31 109.891 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.36 -90.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.534 -0.626 . . . . 0.42 111.534 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.75 12.39 5.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.375 0.607 . . . . 0.51 109.885 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 36.7 t70 -106.08 110.91 23.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.095 -0.957 . . . . 1.36 109.61 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -106.67 134.17 50.22 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.056 0.455 . . . . 1.66 110.086 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 43.3 p -95.81 135.3 37.7 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.904 -0.589 . . . . 1.34 111.03 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.645 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -115.99 100.95 8.33 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.821 -0.807 . . . . 0.48 108.821 178.459 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.749 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.1 m -105.89 117.89 35.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.56 -0.746 . . . . 1.1 110.067 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -105.62 116.76 32.49 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.945 -0.391 . . . . 1.62 109.945 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.485 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 83.2 m-70 -106.56 123.45 48.12 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.034 0.445 . . . . 0.46 109.891 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.527 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 5.9 t80 -99.39 124.73 43.66 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 115.355 -0.838 . . . . 2.11 110.748 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 28.0 Cg_endo -61.77 115.27 2.69 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.464 2.11 . . . . 0.51 112.188 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.89 22.77 75.82 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.742 -0.663 . . . . 0.52 113.126 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.14 -165.69 11.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.155 -1.021 . . . . 0.41 113.303 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.32 147.21 49.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.061 0.458 . . . . 3.97 111.9 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.1 t -102.54 157.31 17.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.008 -0.542 . . . . 1.07 109.771 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.05 132.42 38.21 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.741 -0.466 . . . . 1.11 109.741 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -141.27 138.42 33.21 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.016 -0.427 . . . . 1.04 111.823 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.521 ' OD1' ' H62' ' A' ' 201' ' ' CHO . 7.4 p30 -150.33 156.53 41.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 2.22 109.373 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.7 p -130.83 132.26 45.11 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.55 -0.537 . . . . 1.32 109.55 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.625 ' CE1' ' H5 ' ' A' ' 201' ' ' CHO . 46.2 p90 -132.52 138.53 47.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.515 0.674 . . . . 1.55 112.321 -178.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.482 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 57.5 m -104.82 130.47 52.93 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.167 -0.924 . . . . 1.03 108.806 178.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mm -56.11 125.98 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.445 -0.343 . . . . 1.05 111.121 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t0 74.52 22.39 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.117 0.886 . . . . 1.1 109.944 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 42.9 tptt -138.22 136.87 36.99 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.425 -0.807 . . . . 2.09 110.675 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -66.95 138.05 56.98 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.48 -0.563 . . . . 2.55 109.48 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.07 154.4 47.49 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.711 0.634 . . . . 1.04 112.711 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.29 118.11 26.5 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.12 -0.945 . . . . 1.95 108.606 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.584 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 10.3 mtt -123.14 169.6 11.06 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.483 0.658 . . . . 1.01 111.892 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.682 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 22.6 tt0 -153.67 138.48 17.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.704 -1.135 . . . . 1.47 108.802 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 77' ' ' ARG . 32.3 p -89.65 171.24 9.81 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.362 -0.607 . . . . 1.03 109.362 178.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.604 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 13.4 ttm -76.68 -3.78 39.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.032 0.444 . . . . 1.64 110.27 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.34 -6.7 62.62 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.849 -0.9 . . . . 0.48 110.849 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.97 26.97 9.83 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.891 -0.671 . . . . 0.48 113.297 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.682 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 15.4 mtp180 -97.05 120.63 37.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.291 0.546 . . . . 1.1 110.963 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.92 129.46 46.78 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.704 -0.85 . . . . 2.27 108.704 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.731 ' HZ ' H182 ' A' ' 201' ' ' CHO . 35.3 p90 -158.66 176.79 11.94 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.911 0.337 . . . . 2.02 111.911 -177.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.26 137.65 50.11 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.427 -0.583 . . . . 3.12 109.427 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.6 161.65 42.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.567 -0.288 . . . . 1.05 110.935 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.76 140.42 33.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.933 0.397 . . . . 1.01 110.657 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.57 135.18 64.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.435 . . . . 1.11 109.841 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -127.52 177.62 6.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.844 -0.428 . . . . 1.79 109.844 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.7 mtt -129.07 141.29 51.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.692 0.282 . . . . 1.02 110.757 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.48 104.08 6.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.856 -0.611 . . . . 2.67 110.585 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.14 34.95 90.72 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.176 -0.535 . . . . 0.6 113.311 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.43 15.11 66.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.594 -0.812 . . . . 0.42 112.54 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' HD2' ' CD ' ' A' ' 102' ' ' GLU . 2.8 mtmp? -120.52 125.2 47.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.961 -0.755 . . . . 2.39 108.961 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.544 ' O ' ' HA ' ' A' ' 100' ' ' THR . 2.3 mt -80.14 119.77 30.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 116.108 -0.496 . . . . 1.03 111.55 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.6 p -120.33 129.2 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.285 0.564 . . . . 1.08 110.951 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.75 ' HB3' ' H12' ' A' ' 201' ' ' CHO . . . -105.59 141.67 36.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.795 -0.639 . . . . 1.03 110.219 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -96.94 122.58 40.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.073 0.463 . . . . 1.19 111.488 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.596 ' CZ ' H181 ' A' ' 201' ' ' CHO . 71.1 m-85 -146.11 155.05 51.0 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.3 -0.864 . . . . 2.2 109.721 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -66.94 111.56 2.23 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.017 1.811 . . . . 0.42 111.401 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.681 ' O ' ' HA ' ' A' ' 114' ' ' SER . 3.0 t-20 63.04 11.28 5.05 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.922 -0.581 . . . . 1.9 111.866 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.563 ' CE1' H211 ' A' ' 201' ' ' CHO . 3.2 t80 -125.9 127.42 45.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.95 -0.759 . . . . 2.24 108.95 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.3 t60 -126.57 109.45 12.14 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.921 -0.581 . . . . 1.37 109.892 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.461 ' ND1' H122 ' A' ' 201' ' ' CHO . 3.9 t60 -105.32 119.1 38.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.492 -0.322 . . . . 0.92 110.367 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.544 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 26.5 p -126.11 129.65 49.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.433 -0.348 . . . . 1.03 110.646 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.68 135.65 54.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.123 -0.49 . . . . 1.09 110.282 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.43 ' CD ' ' HD2' ' A' ' 89' ' ' LYS . 2.8 pt-20 -151.92 171.18 18.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.952 0.406 . . . . 1.38 110.763 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.5 mm -108.43 122.7 63.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.379 -0.828 . . . . 1.13 109.179 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.3 m -136.0 99.63 4.2 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.199 0.523 . . . . 1.86 110.351 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.39 35.88 40.85 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.523 -0.762 . . . . 0.96 111.68 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.37 30.21 71.49 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.251 -0.739 . . . . 0.62 111.251 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -135.08 146.79 49.25 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.758 0.314 . . . . 1.8 110.713 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.455 HD22 ' CZ ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -92.37 113.71 26.06 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.054 -0.721 . . . . 1.49 109.054 179.211 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 p -113.99 112.37 39.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.45 -0.574 . . . . 1.1 109.45 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -103.04 131.96 49.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.593 -0.731 . . . . 1.69 110.735 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.455 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.6 mp -115.36 127.39 72.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.445 -0.798 . . . . 1.14 109.276 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 13.4 m -125.2 106.1 9.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.262 -0.427 . . . . 0.6 110.553 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.55 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -94.13 137.07 33.74 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.149 -0.478 . . . . 1.03 110.33 179.475 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.681 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 60.3 p -150.15 113.48 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.27 0.356 . . . . 1.92 110.821 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.1 m 54.87 34.0 21.12 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.649 -0.705 . . . . 1.17 112.362 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.43 -31.7 8.34 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.73 -0.748 . . . . 0.52 113.214 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.01 126.34 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.85 0.325 . . . . 1.24 110.417 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 118' ' ' VAL . 4.2 p -108.51 107.38 22.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.569 0.699 . . . . 1.61 111.164 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 30.9 t80 -89.1 135.85 33.34 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.487 -0.779 . . . . 2.13 109.842 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.455 ' HG2' HG13 ' A' ' 111' ' ' ILE . 15.5 mtpt -133.03 139.69 47.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.523 -0.308 . . . . 1.77 110.762 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.31 130.89 17.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.119 0.485 . . . . 3.06 110.569 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.7 m -106.01 134.95 48.32 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.703 -0.681 . . . . 1.13 109.76 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.2 m -124.62 137.68 54.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.002 0.43 . . . . 0.67 110.702 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 64.8 pttt -78.26 155.63 30.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.728 -0.669 . . . . 2.01 110.777 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.646 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 123.1 43.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.187 0.518 . . . . 2.1 110.393 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.551 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -141.11 168.84 15.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.547 -0.751 . . . . 1.13 109.163 179.176 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.254 -0.879 . . . . 1.27 109.531 178.253 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.942 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.942 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.724 0.297 . . . . 1.69 111.078 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -101.13 -26.35 13.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.168 -0.469 . . . . 2.16 111.466 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.487 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.6 m -60.56 144.58 51.25 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.061 0.458 . . . . 1.02 111.916 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.476 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 128.89 175.71 14.16 Favored Glycine 0 N--CA 1.438 -1.191 0 C-N-CA 120.724 -0.75 . . . . 0.24 112.045 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -99.95 142.26 31.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.858 -0.793 . . . . 2.15 108.858 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.537 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 98.5 m-85 -123.96 150.36 44.86 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.136 -0.32 . . . . 2.2 110.136 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.52 147.62 51.61 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.343 0.402 . . . . 1.41 110.347 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 3.4 t80 -51.58 114.84 1.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.061 0.85 . . . . 2.7 110.743 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -105.46 -53.36 2.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.978 0.418 . . . . 1.46 110.402 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m -154.53 160.6 41.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.13 -0.486 . . . . 1.28 110.83 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 14' ' ' TYR . 3.9 p-10 -147.24 149.59 33.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.154 0.502 . . . . 1.72 110.846 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -136.01 142.65 44.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.973 -0.558 . . . . 1.44 110.474 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.04 37.61 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.199 -0.91 . . . . 1.16 111.641 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.491 ' HB2' ' OD2' ' A' ' 11' ' ' ASP . 63.0 t80 -64.42 -61.71 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.712 -0.222 . . . . 2.27 111.337 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.03 -36.65 70.71 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.933 0.397 . . . . 1.3 110.806 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.96 -46.23 78.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.903 -0.59 . . . . 1.46 110.578 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.491 ' O ' HG12 ' A' ' 21' ' ' ILE . 48.7 t80 -64.93 -52.97 53.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.003 -0.544 . . . . 2.15 111.518 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.47 -35.24 65.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.24 0.459 . . . . 1.08 112.24 -178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.62 -25.23 49.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.932 0.396 . . . . 1.67 110.619 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -78.49 -45.1 22.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.843 -0.617 . . . . 1.53 111.671 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 17' ' ' PHE . 39.2 pt -75.11 -17.62 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.455 -0.339 . . . . 1.06 111.547 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.75 29.33 16.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.264 -0.97 . . . . 0.42 112.686 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.654 ' CD1' H152 ' A' ' 200' ' ' CHO . 26.4 tp -64.71 137.37 97.12 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.554 -0.536 . . . . 1.11 109.554 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.496 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 26.6 Cg_endo -63.14 136.22 54.94 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.248 1.965 . . . . 0.4 111.976 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.04 -39.09 65.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.661 -0.7 . . . . 1.12 111.427 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.3 -45.97 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.09 -0.959 . . . . 2.03 111.791 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB3' ' H20' ' A' ' 200' ' ' CHO . 38.0 mmtt -87.99 -23.13 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.871 -0.332 . . . . 1.47 111.679 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 HG23 ' A' ' 28' ' ' ILE . 19.5 mt -59.4 -57.07 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 123.258 0.349 . . . . 1.13 111.263 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 25.9 mt-10 -72.84 -31.2 64.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.076 -0.511 . . . . 1.73 110.845 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.567 ' HE2' H231 ' A' ' 200' ' ' CHO . 0.1 OUTLIER -69.68 -29.48 66.93 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.976 -0.556 . . . . 1.63 111.189 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.42 ' C ' ' HG ' ' A' ' 34' ' ' CYS . . . -111.04 27.26 11.09 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.859 -0.686 . . . . 0.51 112.827 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 31.3 ptt180 -105.78 135.38 47.31 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.24 -0.282 . . . . 2.94 110.24 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.27 22.44 12.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.813 -0.63 . . . . 2.14 110.709 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.451 ' SG ' HD11 ' A' ' 36' ' ' ILE . 25.6 p -89.67 160.9 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.685 -0.688 . . . . 1.22 110.562 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.91 98.84 11.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.386 0.613 . . . . 3.03 111.862 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.451 HD11 ' SG ' ' A' ' 34' ' ' CYS . 24.6 mm -95.46 124.97 48.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.809 -0.632 . . . . 1.4 110.43 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.6 t -99.5 129.87 49.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.808 -0.441 . . . . 1.11 109.808 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.748 ' HA ' ' O ' ' A' ' 50' ' ' THR . 7.4 m -114.53 108.76 17.28 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.422 -0.354 . . . . 1.05 110.451 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -96.62 117.19 30.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 110.012 -0.366 . . . . 1.39 110.012 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.573 ' HA ' ' O ' ' A' ' 48' ' ' THR . 78.0 t -112.0 122.41 66.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 1.03 110.85 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.457 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 94.4 t -110.08 132.31 58.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.155 -0.683 . . . . 1.56 109.155 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.487 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 4.3 tp-100 -82.42 116.01 21.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.136 0.421 . . . . 2.06 112.136 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 84.9 m-20 -129.45 70.13 1.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.976 -0.556 . . . . 2.31 109.732 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.04 -92.41 0.14 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.006 -0.616 . . . . 0.42 111.817 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.56 0.23 10.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.236 0.541 . . . . 0.51 109.711 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 29.7 t70 -100.89 108.49 20.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.696 -0.684 . . . . 1.36 109.908 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -103.28 130.05 50.43 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.096 -0.502 . . . . 1.66 109.709 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.9 OUTLIER -92.28 125.33 36.9 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.924 -0.58 . . . . 1.34 110.214 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -110.31 103.13 11.76 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.478 -0.564 . . . . 0.48 109.478 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.748 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.9 m -103.85 132.61 49.94 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.198 -0.455 . . . . 1.1 110.813 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -115.74 115.91 27.15 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.336 -0.616 . . . . 1.62 109.336 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -103.77 126.06 50.65 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.077 0.465 . . . . 0.46 110.965 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 3.0 t80 -105.57 125.61 32.93 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 115.325 -0.852 . . . . 2.11 109.256 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.584 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.9 Cg_endo -61.94 112.85 1.63 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.345 2.03 . . . . 0.51 111.775 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.88 29.95 76.69 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.919 -0.582 . . . . 0.52 112.478 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.31 -166.74 12.67 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.022 -1.085 . . . . 0.41 113.826 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.414 HH11 H221 ' A' ' 200' ' ' CHO . 0.0 OUTLIER -61.89 152.53 31.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.615 -0.793 . . . . 3.97 111.218 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.2 t -119.53 158.13 26.93 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 120.8 0.333 . . . . 1.07 110.12 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.5 m -139.19 128.93 24.72 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.19 -0.459 . . . . 1.11 110.128 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 m -133.61 118.97 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.774 0.321 . . . . 1.04 111.466 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -122.4 146.07 47.7 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.202 0.525 . . . . 2.22 110.777 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 p -126.15 121.04 31.71 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.603 -0.726 . . . . 1.32 109.181 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 53.6 p90 -129.34 142.75 50.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.167 0.508 . . . . 1.55 111.693 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 76.2 m -108.45 127.39 53.87 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.369 -0.832 . . . . 1.03 108.967 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.8 mm -55.0 126.57 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.646 0.26 . . . . 1.05 110.985 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t0 75.11 22.56 1.75 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.199 0.937 . . . . 1.1 110.616 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.6 tptt -136.61 144.13 43.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.518 -0.765 . . . . 2.09 110.676 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.8 125.53 27.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.771 -0.826 . . . . 2.55 108.771 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.93 163.59 16.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.197 0.522 . . . . 1.04 112.332 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.462 ' CG ' ' HZ3' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -96.28 122.18 38.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.924 -1.034 . . . . 1.95 108.561 178.576 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.548 ' SD ' ' C19' ' A' ' 201' ' ' CHO . 11.3 mtt -126.31 167.45 15.47 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.515 0.674 . . . . 1.01 112.592 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.679 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 52.4 tt0 -156.39 141.08 16.96 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.467 -1.242 . . . . 1.47 108.705 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.614 HG22 H162 ' A' ' 201' ' ' CHO . 22.6 p -87.46 -176.71 5.7 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.385 -0.598 . . . . 1.03 109.385 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.782 ' HB2' ' H14' ' A' ' 200' ' ' CHO . 7.5 mtp -83.3 -3.88 57.89 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.995 -0.743 . . . . 1.64 108.995 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.499 ' HA2' H161 ' A' ' 200' ' ' CHO . . . -92.8 -7.05 63.2 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 111.233 -0.747 . . . . 0.48 111.233 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.86 29.06 12.28 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.216 -0.516 . . . . 0.48 112.844 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.679 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 29.0 mtp180 -93.57 122.99 36.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.65 0.225 . . . . 1.1 110.792 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -98.75 124.17 43.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.79 0.328 . . . . 2.27 110.441 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.787 ' HZ ' H182 ' A' ' 201' ' ' CHO . 39.3 p90 -155.29 173.35 16.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 2.02 111.216 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.462 ' HZ3' ' CG ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -130.72 143.74 50.96 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.32 -0.622 . . . . 3.12 109.32 179.165 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.497 ' HB2' ' SD ' ' A' ' 71' ' ' MET . . . -155.38 162.09 40.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.686 0.279 . . . . 1.05 110.711 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.43 129.84 50.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.929 -0.397 . . . . 1.01 109.929 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.53 144.9 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.534 -0.303 . . . . 1.11 110.615 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.411 ' CG ' HG13 ' A' ' 91' ' ' VAL . 6.8 pttt -134.41 -179.23 5.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.156 -0.313 . . . . 1.79 110.156 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 mtt -131.03 130.53 43.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.716 -0.22 . . . . 1.02 110.695 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -121.32 93.15 3.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.403 -0.362 . . . . 2.67 110.617 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.37 50.08 65.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.983 -0.627 . . . . 0.6 113.107 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.63 17.75 78.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.858 -0.687 . . . . 0.42 113.209 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -122.84 119.51 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.866 -0.42 . . . . 2.39 109.866 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.4 HG23 ' CE1' ' A' ' 63' ' ' PHE . 1.8 mt -78.64 107.79 11.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.769 -0.456 . . . . 1.03 109.769 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.411 HG13 ' CG ' ' A' ' 84' ' ' LYS . 2.5 p -113.13 135.05 53.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.223 0.535 . . . . 1.08 110.997 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.612 ' HB1' ' H12' ' A' ' 201' ' ' CHO . . . -117.45 145.41 44.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.705 -0.68 . . . . 1.03 109.772 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -103.08 124.05 47.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.385 . . . . 1.19 111.858 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.513 ' CZ ' H181 ' A' ' 201' ' ' CHO . 89.4 m-85 -140.77 155.62 69.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.4 -0.818 . . . . 2.2 110.406 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.61 115.8 4.41 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.375 2.05 . . . . 0.42 111.831 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 114' ' ' SER . 56.1 t30 68.17 9.04 6.95 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.565 0.698 . . . . 1.9 110.806 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.1 t80 -136.39 125.62 24.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.92 -0.582 . . . . 2.24 109.803 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.556 ' O ' ' HA ' ' A' ' 112' ' ' SER . 10.0 t60 -121.11 123.48 42.43 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.816 -0.809 . . . . 1.37 108.816 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.668 ' ND1' H122 ' A' ' 201' ' ' CHO . 1.8 t60 -123.56 119.27 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.972 0.415 . . . . 0.92 111.134 -178.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.0 p -127.95 128.57 45.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.884 -0.598 . . . . 1.03 110.864 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.63 130.02 56.18 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.361 -0.607 . . . . 1.09 109.361 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -153.17 172.84 16.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.084 0.469 . . . . 1.38 111.25 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.9 mm -109.63 122.24 63.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.151 -0.931 . . . . 1.13 109.613 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.6 m -137.27 113.83 10.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.233 -0.44 . . . . 1.86 110.024 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.27 28.12 64.63 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.052 -0.819 . . . . 0.96 111.052 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.74 25.76 73.14 Favored Glycine 0 C--N 1.332 0.338 0 N-CA-C 111.655 -0.578 . . . . 0.62 111.655 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -135.69 153.36 51.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.888 0.375 . . . . 1.8 111.24 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.451 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 1.4 tm? -91.14 118.15 30.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.605 -0.725 . . . . 1.49 109.083 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.8 115.37 46.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.2 0.524 . . . . 1.1 110.395 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.408 ' HG3' ' CD1' ' A' ' 108' ' ' LEU . 62.6 mt-10 -101.57 125.54 48.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.891 -0.595 . . . . 1.69 109.922 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.405 HG13 ' HG2' ' A' ' 120' ' ' LYS . 5.1 mp -109.62 127.59 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.605 -0.725 . . . . 1.14 109.379 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.556 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 9.7 m -125.17 115.09 19.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.949 -0.569 . . . . 0.6 110.239 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.529 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -102.16 130.47 48.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.652 -0.249 . . . . 1.03 110.622 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 45.0 m -146.99 113.29 5.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 1.92 110.495 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.3 m 55.3 38.23 30.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.345 -0.843 . . . . 1.17 112.646 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.81 -22.34 39.82 Favored Glycine 0 C--N 1.328 0.134 0 C-N-CA 120.621 -0.799 . . . . 0.52 113.807 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.1 t -85.26 120.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.299 0.55 . . . . 1.24 110.727 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.48 105.92 18.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.594 -0.73 . . . . 1.61 111.045 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -90.93 130.54 36.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.393 -0.821 . . . . 2.13 109.133 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.405 ' HG2' HG13 ' A' ' 111' ' ' ILE . 17.5 mtpt -130.81 124.37 31.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.087 0.47 . . . . 1.77 111.593 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -124.76 127.7 47.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.729 -0.669 . . . . 3.06 110.416 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.0 m -105.21 132.9 50.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.774 -0.648 . . . . 1.13 109.852 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -128.24 137.66 52.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.351 -0.386 . . . . 0.67 110.515 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 16.0 pttm -83.16 158.1 22.49 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.947 -0.57 . . . . 2.01 109.722 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.476 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -104.84 121.54 43.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.084 0.468 . . . . 2.1 110.581 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.53 165.95 30.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.628 -0.715 . . . . 1.13 109.316 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.69 -0.671 . . . . 1.27 109.703 178.842 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.889 ' C7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.889 H262 ' C7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 112.058 0.392 . . . . 1.69 112.058 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -89.13 -5.17 57.97 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.044 0.387 . . . . 2.16 112.044 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.91 144.07 49.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.605 0.594 . . . . 1.02 112.605 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.492 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 124.21 174.58 14.13 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.353 -0.927 . . . . 0.24 113.316 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.9 145.8 25.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.874 -0.787 . . . . 2.15 108.874 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 91.1 m-85 -130.44 140.63 50.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.135 -0.32 . . . . 2.2 110.135 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -126.82 146.81 50.13 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.072 -0.513 . . . . 1.41 110.071 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -49.54 120.43 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.07 0.856 . . . . 2.7 112.183 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.29 -50.87 2.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.841 -0.618 . . . . 1.46 110.122 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -154.45 165.71 35.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 1.28 110.588 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -158.83 169.17 24.96 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.835 -0.431 . . . . 1.72 109.835 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -152.36 140.92 20.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.496 -0.32 . . . . 1.44 110.855 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 61.65 30.3 18.49 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.128 -0.942 . . . . 1.16 112.564 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.47 ' O ' HG22 ' A' ' 18' ' ' VAL . 58.3 t80 -61.17 -58.74 7.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.526 0.203 . . . . 2.27 111.069 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -42.54 77.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.909 -0.587 . . . . 1.3 111.546 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -43.82 91.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.124 0.488 . . . . 1.46 110.673 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 119' ' ' TYR . 87.3 t80 -63.21 -55.51 24.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.453 -0.794 . . . . 2.15 111.301 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 14' ' ' TYR . 27.1 m -59.48 -37.09 68.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.0 -0.546 . . . . 1.08 111.994 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -74.14 -28.93 61.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.664 0.269 . . . . 1.67 110.871 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -77.45 -41.41 39.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 1.53 111.297 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.0 pt -75.61 -14.45 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.68 0.276 . . . . 1.06 111.55 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.03 31.3 12.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.423 -0.894 . . . . 0.42 113.078 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.591 HD13 H152 ' A' ' 200' ' ' CHO . 19.2 tp -71.68 130.47 87.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.472 -0.566 . . . . 1.11 109.472 178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.434 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 32.2 Cg_endo -66.37 142.77 67.33 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.291 1.994 . . . . 0.4 111.726 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.9 -36.22 62.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 1.12 111.277 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 30' ' ' MET . 2.9 m-20 -54.73 -42.92 72.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.762 . . . . 2.03 111.156 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HE3' H162 ' A' ' 200' ' ' CHO . 8.1 mmmt -86.84 -30.34 21.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 1.47 110.78 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.7 mt -61.07 -56.48 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 1.13 110.446 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -64.42 -31.33 72.49 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.376 0.608 . . . . 1.73 110.596 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 9.1 tpt -66.66 -37.56 85.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.097 -0.956 . . . . 1.63 110.749 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.39 32.22 5.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.837 -0.697 . . . . 0.51 113.016 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -85.95 103.66 14.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.478 -0.425 . . . . 2.94 112.063 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m120 56.37 28.13 13.05 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.533 -0.758 . . . . 2.14 111.973 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.5 m -76.37 164.6 25.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.718 0.294 . . . . 1.22 110.752 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.8 77.03 2.74 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.103 0.477 . . . . 3.03 112.096 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mm -83.07 122.12 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.367 -0.379 . . . . 1.4 110.039 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.3 t -98.78 127.86 50.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 1.11 110.217 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.585 HG22 ' OE1' ' A' ' 51' ' ' GLN . 26.1 m -110.67 108.15 17.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.923 -0.581 . . . . 1.05 109.855 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 55.2 mt-10 -98.03 120.37 38.3 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.809 -0.356 . . . . 1.39 110.097 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.6 t -113.91 122.52 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.268 -0.424 . . . . 1.03 111.958 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.405 ' HB ' ' HG1' ' A' ' 48' ' ' THR . 57.4 t -107.6 126.45 63.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.213 -1.032 . . . . 1.56 108.213 177.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -99.97 109.08 21.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.799 0.666 . . . . 2.06 112.799 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -126.09 74.98 1.48 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.097 1.427 . . . . 2.31 108.885 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.06 -111.68 3.38 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 113.446 -1.706 . . . . 0.42 112.04 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.04 0.55 32.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.99 0.424 . . . . 0.51 110.566 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 24.9 t70 -100.94 114.06 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.191 -0.459 . . . . 1.36 111.077 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -109.69 137.87 46.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.627 -0.715 . . . . 1.66 109.896 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 1.2 p -106.39 133.86 50.42 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.147 -0.479 . . . . 1.34 111.165 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.32 101.26 10.27 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.082 -0.71 . . . . 0.48 109.082 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 1.1 m -103.77 107.51 18.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.964 -0.562 . . . . 1.1 110.31 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.585 ' OE1' HG22 ' A' ' 38' ' ' THR . 6.8 mm100 -98.27 118.88 35.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.93 0.395 . . . . 1.62 110.321 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -105.09 123.85 48.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.494 0.664 . . . . 0.46 111.01 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.515 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.3 t80 -100.7 125.63 38.15 Favored Pre-proline 0 C--N 1.315 -0.897 0 CA-C-N 114.681 -1.145 . . . . 2.11 109.869 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 33.7 Cg_endo -64.54 115.44 3.2 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.472 2.115 . . . . 0.51 111.605 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.56 30.15 76.79 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.835 -0.697 . . . . 0.52 112.636 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.14 -166.95 12.74 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.717 -0.754 . . . . 0.41 112.767 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.9 147.38 35.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.361 0.601 . . . . 3.97 111.246 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 t -99.09 160.79 14.01 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.74 -0.663 . . . . 1.07 110.544 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.2 114.26 8.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.548 -0.296 . . . . 1.11 110.5 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -119.16 123.01 43.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.137 0.494 . . . . 1.04 111.444 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -122.57 133.27 54.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.963 -0.562 . . . . 2.22 110.074 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.7 p -113.19 122.86 48.78 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.104 -0.702 . . . . 1.32 109.104 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.461 ' CZ ' ' H3 ' ' A' ' 201' ' ' CHO . 47.2 p90 -133.59 135.24 44.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.777 0.798 . . . . 1.55 112.371 -178.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.465 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 53.5 m -104.39 129.21 52.34 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.885 -1.052 . . . . 1.03 108.899 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.402 HG23 HD11 ' A' ' 65' ' ' ILE . 45.9 mm -54.27 128.03 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.857 0.361 . . . . 1.05 111.134 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 t70 74.66 17.6 2.93 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.045 -0.98 . . . . 1.1 110.55 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 34.9 tptt -130.57 143.78 50.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.733 -0.667 . . . . 2.09 110.424 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -74.89 125.03 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.807 -0.812 . . . . 2.55 108.807 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.52 158.17 21.99 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.222 0.452 . . . . 1.04 112.222 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -95.82 120.1 35.49 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.729 -1.212 . . . . 1.95 107.729 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.672 ' SD ' H192 ' A' ' 201' ' ' CHO . 8.7 mtt -123.23 168.35 12.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.824 0.821 . . . . 1.01 112.595 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.603 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.5 tt0 -155.23 141.85 18.85 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.288 -1.324 . . . . 1.47 108.745 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.704 HG22 H222 ' A' ' 201' ' ' CHO . 30.9 p -96.55 173.12 7.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.141 0.496 . . . . 1.03 110.379 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.695 ' CB ' ' H17' ' A' ' 200' ' ' CHO . 31.6 mtt -76.36 -10.5 59.44 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.451 -0.574 . . . . 1.64 109.451 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.401 ' N ' H161 ' A' ' 200' ' ' CHO . . . -83.19 -18.0 65.73 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.621 -0.992 . . . . 0.48 110.621 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.99 22.75 7.77 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.773 -0.727 . . . . 0.48 112.642 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.603 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 6.9 mtp85 -92.39 119.63 32.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.064 0.432 . . . . 1.1 110.78 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.53 124.35 47.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.789 -0.819 . . . . 2.27 108.789 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.818 ' HZ ' H182 ' A' ' 201' ' ' CHO . 51.4 p90 -158.93 178.11 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.709 0.29 . . . . 2.02 111.352 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -136.01 146.45 47.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.293 -0.412 . . . . 3.12 110.127 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.39 161.83 41.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.878 0.37 . . . . 1.05 111.491 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -99.21 131.12 45.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 1.01 109.747 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -114.43 137.86 46.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.801 -0.444 . . . . 1.11 109.801 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' CG ' HG11 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -129.04 176.4 7.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.636 0.255 . . . . 1.79 110.407 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.3 mtt -130.3 126.09 36.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.147 -0.316 . . . . 1.02 110.147 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -124.41 104.19 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.866 0.365 . . . . 2.67 110.71 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.01 36.11 80.39 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.952 -0.567 . . . . 0.6 112.925 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.46 19.67 73.45 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.976 -0.63 . . . . 0.42 112.309 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -122.29 125.5 46.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.271 -0.641 . . . . 2.39 109.271 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mt -80.21 114.88 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.798 0.333 . . . . 1.03 110.239 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.424 HG11 ' CG ' ' A' ' 84' ' ' LYS . 3.0 p -116.65 128.06 74.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.302 0.572 . . . . 1.08 110.795 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.695 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -106.51 139.02 41.63 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.93 -0.577 . . . . 1.03 110.061 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -97.74 122.56 40.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.103 0.478 . . . . 1.19 111.381 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.513 ' CZ ' H181 ' A' ' 201' ' ' CHO . 68.7 m-85 -145.68 159.03 48.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.319 -0.855 . . . . 2.2 110.3 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -80.97 120.79 3.86 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.091 1.861 . . . . 0.42 111.077 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 114' ' ' SER . 1.5 m120 63.8 22.22 12.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.268 -0.424 . . . . 1.9 110.422 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.3 t80 -148.45 127.54 12.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.869 -0.605 . . . . 2.24 110.277 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.571 ' O ' ' HA ' ' A' ' 112' ' ' SER . 34.1 t60 -126.75 115.33 19.22 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.578 -0.897 . . . . 1.37 108.578 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.747 ' ND1' H122 ' A' ' 201' ' ' CHO . 3.8 t-160 -117.9 113.43 21.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.575 0.226 . . . . 0.92 111.178 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.4 HG21 ' HB ' ' A' ' 91' ' ' VAL . 13.0 p -123.35 129.09 50.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.356 -0.384 . . . . 1.03 110.524 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.28 136.79 52.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.174 -0.466 . . . . 1.09 109.957 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -155.83 175.65 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.772 0.32 . . . . 1.38 111.004 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 107' ' ' LYS . 13.7 mm -112.36 110.86 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.777 -0.647 . . . . 1.13 109.39 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.8 m -121.84 117.56 26.82 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.676 -0.693 . . . . 1.86 109.714 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.12 30.96 76.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.672 -0.775 . . . . 0.96 111.435 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.75 18.64 78.89 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.253 -0.498 . . . . 0.62 111.904 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 103' ' ' ILE . 21.5 mttp -124.74 151.97 44.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 1.8 111.173 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.489 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.6 tm? -89.86 116.54 28.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.717 -0.846 . . . . 1.49 108.717 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.0 p -123.84 119.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 121.219 0.533 . . . . 1.1 110.293 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.476 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 39.3 mt-10 -108.26 125.88 52.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.363 -0.835 . . . . 1.69 110.15 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.98 122.07 59.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.79 -0.818 . . . . 1.14 108.79 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -120.87 111.32 17.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.987 -0.551 . . . . 0.6 110.681 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -99.57 136.47 39.46 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.308 -0.405 . . . . 1.03 110.728 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 75.7 m -149.9 112.55 4.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.302 -0.408 . . . . 1.92 110.987 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.3 m 59.23 32.42 21.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.74 . . . . 1.17 111.714 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 100.52 -28.58 15.17 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.47 -0.871 . . . . 0.52 113.394 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.46 125.69 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 117.193 0.496 . . . . 1.24 110.946 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.8 t -101.12 108.95 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 1.61 111.055 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.401 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 32.4 t80 -96.76 128.61 43.87 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.697 -0.683 . . . . 2.13 109.37 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -123.91 143.76 50.18 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.854 0.359 . . . . 1.77 110.73 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 2.1 ptp180 -138.66 136.25 35.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.966 -0.561 . . . . 3.06 110.234 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.2 m -116.78 123.12 46.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.843 -0.617 . . . . 1.13 110.257 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.2 m -124.46 139.86 53.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.143 -0.48 . . . . 0.67 110.352 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -87.44 154.46 20.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.262 -0.426 . . . . 2.01 109.987 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.507 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.3 OUTLIER -98.91 114.8 27.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 2.1 110.549 -179.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.37 156.02 32.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.656 -0.702 . . . . 1.13 109.66 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.192 -0.909 . . . . 1.27 109.796 179.847 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.898 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.898 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 111.605 0.224 . . . . 1.69 111.605 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -85.47 -30.88 23.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.0 -0.28 . . . . 2.16 111.048 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.67 141.78 58.64 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.337 0.495 . . . . 1.02 112.337 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.26 172.26 13.0 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.77 -0.729 . . . . 0.24 112.622 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -94.77 143.97 26.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.921 -0.77 . . . . 2.15 108.921 178.165 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.475 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 92.3 m-85 -129.39 136.17 49.62 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.241 -0.436 . . . . 2.2 109.947 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -120.62 144.61 48.05 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.127 -0.488 . . . . 1.41 110.318 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 1.5 t80 -49.17 115.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.049 -0.978 . . . . 2.7 112.454 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.7 tp10 -110.3 -48.98 3.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.702 -0.681 . . . . 1.46 109.994 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.3 m -153.65 163.78 39.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.933 -0.576 . . . . 1.28 110.862 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 2.0 p-10 -148.44 162.14 40.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.528 -0.545 . . . . 1.72 109.528 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -149.09 137.99 21.29 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.101 -0.5 . . . . 1.44 110.592 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 62.86 44.04 6.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.022 -0.99 . . . . 1.16 112.017 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.59 -58.63 3.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.699 0.259 . . . . 2.27 111.699 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -58.62 -41.6 86.3 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.226 -0.443 . . . . 1.3 111.525 -178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -40.84 98.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.073 -0.512 . . . . 1.46 110.323 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.471 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 32.3 t80 -65.74 -55.45 17.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.119 -0.946 . . . . 2.15 111.217 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -59.64 -39.42 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.816 -0.629 . . . . 1.08 111.99 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -72.52 -25.28 61.33 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.917 -0.313 . . . . 1.67 111.375 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -81.7 -48.0 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.836 0.31 . . . . 1.53 111.836 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 17' ' ' PHE . 29.1 pt -68.88 -18.94 23.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 1.06 111.865 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.34 38.9 6.53 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.417 -0.896 . . . . 0.42 112.261 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD12 H152 ' A' ' 200' ' ' CHO . 14.8 tp -77.57 130.49 73.82 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 110.413 -0.218 . . . . 1.11 110.413 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -67.47 144.92 69.11 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.293 1.995 . . . . 0.4 111.865 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.92 -33.34 62.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.483 -0.326 . . . . 1.12 111.188 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.18 -41.49 79.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.592 -0.731 . . . . 2.03 111.293 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HD2' H222 ' A' ' 200' ' ' CHO . 73.2 mmtt -88.21 -33.11 18.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.496 -0.32 . . . . 1.47 110.443 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.5 mt -57.2 -59.06 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.96 -0.563 . . . . 1.13 110.757 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.08 -36.43 81.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.915 -0.584 . . . . 1.73 111.275 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.457 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 5.0 tpt -63.72 -38.23 90.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.553 -0.749 . . . . 1.63 110.716 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.43 35.08 5.03 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.106 -0.569 . . . . 0.51 113.057 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -91.33 108.25 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.974 0.387 . . . . 2.94 111.887 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.48 26.69 15.68 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.078 -0.964 . . . . 2.14 112.008 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.6 m -79.19 142.41 36.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.499 -0.556 . . . . 1.22 109.499 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -71.3 89.56 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.455 0.645 . . . . 3.03 111.844 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.3 mm -84.39 124.01 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.751 -0.659 . . . . 1.4 110.217 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.23 136.22 27.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.312 -0.625 . . . . 1.11 109.312 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.554 HG21 ' OE1' ' A' ' 51' ' ' GLN . 32.0 m -121.04 106.04 11.2 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.077 -0.51 . . . . 1.05 110.367 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.478 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 48.2 mt-10 -95.1 115.07 26.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.981 -0.377 . . . . 1.39 109.981 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 48' ' ' THR . 58.1 t -109.53 124.89 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.685 -0.689 . . . . 1.03 111.707 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.527 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 59.3 t -115.36 130.59 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.34 -0.985 . . . . 1.56 108.34 177.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -106.99 128.81 54.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.922 0.391 . . . . 2.06 111.73 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -141.9 91.53 2.36 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.831 -0.803 . . . . 2.31 108.831 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.17 -96.08 0.87 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.906 -0.664 . . . . 0.42 111.899 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.09 11.24 7.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.264 0.554 . . . . 0.51 110.135 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 28.2 t70 -106.96 121.57 44.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.85 -0.614 . . . . 1.36 110.394 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -115.34 133.12 56.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.101 -0.5 . . . . 1.66 110.049 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.527 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -98.45 141.49 31.24 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.237 -0.438 . . . . 1.34 111.119 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.609 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -120.61 101.78 7.98 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.182 -0.673 . . . . 0.48 109.182 179.32 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.478 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 1.2 m -103.94 109.71 21.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.944 -0.571 . . . . 1.1 110.256 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.554 ' OE1' HG21 ' A' ' 38' ' ' THR . 8.0 mm100 -101.12 119.71 39.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.838 0.351 . . . . 1.62 110.799 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -108.25 122.64 47.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.396 0.617 . . . . 0.46 111.156 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.46 ' CZ ' H211 ' A' ' 200' ' ' CHO . 2.4 t80 -97.19 121.0 60.09 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 114.418 -1.265 . . . . 2.11 110.073 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.11 114.3 2.4 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.092 1.862 . . . . 0.51 111.908 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.23 23.26 77.85 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.967 -0.635 . . . . 0.52 112.553 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.01 -170.21 13.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.627 -0.796 . . . . 0.41 112.947 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.75 145.81 42.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 3.97 111.319 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.452 ' C ' ' HG1' ' A' ' 59' ' ' THR . 7.7 t -96.78 161.01 14.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.799 -0.637 . . . . 1.07 110.288 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.452 ' HG1' ' C ' ' A' ' 58' ' ' THR . 3.1 m -145.42 113.88 6.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.748 -0.206 . . . . 1.11 110.833 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 m -111.43 135.8 51.47 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.848 0.356 . . . . 1.04 111.913 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -133.05 154.64 50.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 2.22 109.972 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.9 p -135.1 123.77 23.68 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.058 -0.719 . . . . 1.32 109.058 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CZ ' ' H3 ' ' A' ' 201' ' ' CHO . 55.5 p90 -132.27 137.9 47.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.484 0.659 . . . . 1.55 112.272 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 59.4 m -106.94 130.48 54.59 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.292 -0.867 . . . . 1.03 109.547 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.52 127.57 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 120.919 0.39 . . . . 1.05 111.192 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.0 t70 70.8 25.31 3.98 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.044 0.938 . . . . 1.1 110.419 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 22.7 tptt -137.35 143.95 42.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.64 -0.709 . . . . 2.09 110.485 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -75.23 128.08 34.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.287 -0.634 . . . . 2.55 109.287 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' HB1' ' HA ' ' A' ' 63' ' ' PHE . . . -118.34 158.18 25.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.346 -0.388 . . . . 1.04 111.754 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.26 117.45 30.82 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 107.502 -1.296 . . . . 1.95 107.502 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.485 ' SD ' ' C19' ' A' ' 201' ' ' CHO . 7.1 mtt -120.27 167.51 12.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.57 0.7 . . . . 1.01 111.928 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.633 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 44.6 tt0 -157.01 140.3 15.62 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.487 -1.233 . . . . 1.47 109.037 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 p -96.12 174.09 7.08 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.949 -0.389 . . . . 1.03 109.949 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.599 ' C ' H161 ' A' ' 200' ' ' CHO . 34.3 mtt -78.3 -4.32 47.37 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.042 -0.725 . . . . 1.64 109.042 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.468 ' N ' H161 ' A' ' 200' ' ' CHO . . . -86.98 -2.79 83.59 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.857 -0.897 . . . . 0.48 110.857 179.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.16 26.47 30.95 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.356 -0.449 . . . . 0.48 112.045 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.633 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.6 mtp180 -100.64 121.42 41.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.615 0.245 . . . . 1.1 111.448 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 128.81 51.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.926 -0.768 . . . . 2.27 108.926 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.7 ' HZ ' H182 ' A' ' 201' ' ' CHO . 40.4 p90 -160.18 177.36 10.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 2.02 111.45 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.65 141.45 48.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.481 . . . . 3.12 109.716 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.15 162.77 40.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.249 -0.432 . . . . 1.05 111.055 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.36 132.53 51.43 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.137 -0.483 . . . . 1.01 110.297 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.97 143.14 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.229 -0.441 . . . . 1.11 110.457 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -130.56 176.79 7.87 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.835 -0.432 . . . . 1.79 109.835 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.3 mtt -131.2 118.11 19.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.611 0.243 . . . . 1.02 110.545 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -119.64 112.1 18.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.506 -0.315 . . . . 2.67 110.834 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.48 31.91 77.78 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.038 -0.601 . . . . 0.6 112.649 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.4 28.16 62.25 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.749 -0.739 . . . . 0.42 111.812 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -128.72 128.63 44.42 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.87 -0.789 . . . . 2.39 108.87 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 100' ' ' THR . 1.5 mt -80.45 110.4 15.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 120.807 -0.357 . . . . 1.03 110.829 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 99' ' ' HIS . 2.7 p -113.78 126.0 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-O 121.165 0.507 . . . . 1.08 110.868 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.715 ' HB3' ' H12' ' A' ' 201' ' ' CHO . . . -102.6 142.59 33.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.75 -0.659 . . . . 1.03 110.3 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -102.12 123.11 45.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.906 0.384 . . . . 1.19 111.099 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.529 ' CZ ' H181 ' A' ' 201' ' ' CHO . 75.0 m-85 -143.19 164.92 28.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.184 -0.916 . . . . 2.2 109.831 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -77.22 113.31 3.56 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 121.821 1.68 . . . . 0.42 111.024 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 114' ' ' SER . 66.2 t30 65.72 15.29 9.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.842 -0.617 . . . . 1.9 111.021 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.542 ' CE1' H211 ' A' ' 201' ' ' CHO . 3.2 t80 -136.6 127.24 27.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.214 0.531 . . . . 2.24 109.884 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.479 ' O ' ' HA ' ' A' ' 112' ' ' SER . 1.2 t60 -126.75 116.28 20.68 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.544 -0.753 . . . . 1.37 109.124 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.62 ' ND1' ' H21' ' A' ' 201' ' ' CHO . 10.2 t-160 -113.13 117.77 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.184 0.303 . . . . 0.92 110.745 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 72.9 p -127.17 129.2 47.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.753 -0.462 . . . . 1.03 109.753 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.63 137.38 54.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.501 0.191 . . . . 1.09 111.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -153.63 173.95 15.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.872 0.368 . . . . 1.38 111.08 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.5 mm -111.77 111.18 35.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.113 -0.699 . . . . 1.13 109.113 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.8 m -124.57 115.55 21.01 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.049 -0.523 . . . . 1.86 110.354 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.58 25.77 74.49 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.532 -0.627 . . . . 0.96 111.532 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.04 22.31 71.72 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.54 -0.838 . . . . 0.62 111.73 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -131.86 141.41 49.39 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.381 -0.229 . . . . 1.8 110.381 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -83.25 113.85 20.97 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.908 -0.775 . . . . 1.49 108.908 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -119.68 112.69 38.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.605 0.717 . . . . 1.1 109.892 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -100.47 138.88 36.94 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.172 -0.922 . . . . 1.69 109.715 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.0 126.38 74.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.69 -0.686 . . . . 1.14 110.241 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 73.2 m -121.53 111.15 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.601 0.563 . . . . 0.6 110.025 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -99.45 130.72 45.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.747 0.308 . . . . 1.03 111.311 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 66.5 m -145.69 111.46 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.996 -0.547 . . . . 1.92 110.052 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.2 m 59.87 30.59 20.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.829 -0.623 . . . . 1.17 110.892 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.4 -16.76 60.62 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.717 -0.754 . . . . 0.52 112.608 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.71 113.41 16.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.879 0.371 . . . . 1.24 110.302 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.34 104.18 15.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.804 -0.635 . . . . 1.61 111.358 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -94.76 124.55 38.87 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.326 -0.852 . . . . 2.13 109.056 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -125.03 140.67 52.7 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 112.025 0.38 . . . . 1.77 112.025 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 24.4 mtm180 -128.99 128.53 43.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.277 -0.419 . . . . 3.06 110.225 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 8.2 m -102.81 118.21 36.33 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.777 -0.823 . . . . 1.13 108.777 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 m -124.71 135.5 53.07 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.991 -0.374 . . . . 0.67 109.991 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.2 pttt -86.41 155.47 20.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.206 -0.452 . . . . 2.01 110.848 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.522 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -93.58 121.22 34.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.889 -0.596 . . . . 2.1 109.957 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -136.43 166.84 25.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.756 -0.461 . . . . 1.13 109.756 179.099 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.508 -0.552 . . . . 1.27 109.508 179.181 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.807 H213 H121 ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.804 ' C27' ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 111.94 0.348 . . . . 1.69 111.94 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -101.69 -20.21 15.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.653 -0.249 . . . . 2.16 111.517 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.38 150.84 48.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.5 -0.318 . . . . 1.02 111.436 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 124.35 172.11 13.55 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.74 -0.743 . . . . 0.24 112.41 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -97.74 145.74 26.06 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.822 -0.807 . . . . 2.15 108.822 178.324 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.563 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 82.1 m-85 -128.76 140.22 51.83 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.493 -0.321 . . . . 2.2 110.195 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -127.84 158.71 37.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.013 -0.54 . . . . 1.41 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -51.12 123.58 9.7 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.499 -0.773 . . . . 2.7 111.736 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.5 tp10 -123.69 -53.45 1.77 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.625 . . . . 1.46 109.908 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.445 ' HB2' ' HB ' ' A' ' 122' ' ' THR . 35.9 m -152.25 160.36 43.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.567 -0.742 . . . . 1.28 110.912 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -153.37 156.56 38.53 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.885 -0.413 . . . . 1.72 109.885 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -147.48 140.43 24.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.386 -0.37 . . . . 1.44 110.134 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 63.49 32.73 14.1 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.519 -0.764 . . . . 1.16 111.017 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -63.34 -56.39 16.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.422 -0.353 . . . . 2.27 110.944 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.38 -41.32 96.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 1.3 110.854 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.3 -45.98 89.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.62 . . . . 1.46 110.377 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.418 ' O ' HG12 ' A' ' 21' ' ' ILE . 82.3 t80 -61.77 -56.18 22.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.957 -1.019 . . . . 2.15 111.481 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -60.99 -36.97 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 1.08 112.161 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -74.26 -22.13 59.45 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.921 -0.312 . . . . 1.67 111.238 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -81.41 -45.06 16.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.425 -0.352 . . . . 1.53 110.831 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 17' ' ' PHE . 24.3 pt -75.21 -13.83 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 1.06 111.802 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.69 36.92 21.48 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.797 -0.716 . . . . 0.42 112.741 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.407 HD21 H181 ' A' ' 200' ' ' CHO . 26.5 tp -71.29 135.24 84.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.16 -0.682 . . . . 1.11 109.16 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.412 ' O ' HG13 ' A' ' 28' ' ' ILE . 27.6 Cg_endo -63.62 139.41 69.62 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.072 1.848 . . . . 0.4 111.49 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.66 -37.96 59.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.952 -0.567 . . . . 1.12 111.375 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.84 -39.57 71.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.252 -0.886 . . . . 2.03 111.482 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HD2' H222 ' A' ' 200' ' ' CHO . 40.1 mmtt -88.93 -30.56 18.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.252 . . . . 1.47 110.561 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 24' ' ' PRO . 53.8 mt -60.1 -57.88 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.414 0.626 . . . . 1.13 110.325 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 24.4 mm-40 -65.14 -30.5 71.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.167 -0.924 . . . . 1.73 110.953 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.506 ' HE2' ' O ' ' A' ' 30' ' ' MET . 7.7 tpt -71.26 -32.26 68.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.951 -0.568 . . . . 1.63 111.299 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.62 14.35 53.68 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 119.907 -1.14 . . . . 0.51 114.056 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.3 ptp180 -105.1 139.03 40.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.434 0.617 . . . . 2.94 110.282 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.43 19.12 11.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.399 0.618 . . . . 2.14 110.334 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.2 m -104.31 153.52 20.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.309 -0.859 . . . . 1.22 110.296 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -91.33 92.1 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.17 0.509 . . . . 3.03 111.94 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.28 111.38 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.629 -0.878 . . . . 1.4 108.629 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.95 139.1 18.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.233 -0.439 . . . . 1.11 110.686 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.6 ' HA ' ' O ' ' A' ' 50' ' ' THR . 33.5 m -122.43 104.89 9.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.201 -0.454 . . . . 1.05 109.875 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.8 120.22 35.69 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.165 -0.309 . . . . 1.39 110.165 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.9 t -113.49 129.17 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 123.556 0.535 . . . . 1.03 111.404 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 47.4 t -118.22 130.14 73.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.313 -0.995 . . . . 1.56 108.313 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -94.08 112.68 24.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.959 0.409 . . . . 2.06 111.973 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -118.97 73.68 0.94 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.737 -0.838 . . . . 2.31 108.737 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.16 -99.37 0.78 Allowed Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.726 -0.95 . . . . 0.42 110.726 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.2 5.53 15.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.327 0.584 . . . . 0.51 109.49 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 33.4 t70 -104.09 111.57 24.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.287 -0.87 . . . . 1.36 110.004 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -109.15 134.64 51.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.11 -0.496 . . . . 1.66 109.983 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.553 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -100.48 120.83 40.59 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.108 -0.496 . . . . 1.34 111.68 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -101.38 102.97 13.89 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.209 -0.663 . . . . 0.48 109.209 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.6 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.3 m -105.71 114.38 28.51 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.274 -0.421 . . . . 1.1 111.186 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.457 ' NE2' HG22 ' A' ' 38' ' ' THR . 3.5 mp0 -100.45 118.7 37.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.056 -0.35 . . . . 1.62 110.056 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -105.32 130.61 53.4 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.141 -0.481 . . . . 0.46 110.208 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.55 ' CZ ' H211 ' A' ' 200' ' ' CHO . 8.3 t80 -108.75 130.67 22.46 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.814 -0.63 . . . . 2.11 110.245 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.71 112.9 2.78 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 121.622 1.548 . . . . 0.51 111.624 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.47 27.71 72.23 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 115.903 -0.59 . . . . 0.52 113.103 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.95 -167.01 13.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.298 -0.953 . . . . 0.41 113.234 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.909 ' NH2' H221 ' A' ' 200' ' ' CHO . 0.0 OUTLIER -73.69 148.62 42.53 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.117 0.484 . . . . 3.97 111.513 -179.225 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -102.11 154.07 19.34 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.066 -0.515 . . . . 1.07 109.677 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -132.65 115.21 15.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.444 -0.344 . . . . 1.11 110.303 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.9 m -124.06 128.02 48.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.952 0.406 . . . . 1.04 111.961 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.502 ' OD1' ' H7 ' ' A' ' 201' ' ' CHO . 0.2 OUTLIER -135.92 122.99 21.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.848 -0.615 . . . . 2.22 110.04 178.145 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.9 p -97.67 132.2 43.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.2 -0.909 . . . . 1.32 109.138 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.473 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 52.7 p90 -133.8 138.28 45.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.535 0.683 . . . . 1.55 111.457 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.51 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 95.0 m -107.02 127.2 53.25 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.024 -0.989 . . . . 1.03 108.561 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -53.47 128.89 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.02 0.438 . . . . 1.05 111.038 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 70.32 24.81 4.63 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.117 -0.947 . . . . 1.1 110.319 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.51 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.6 tptt -137.84 141.52 40.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.518 -0.765 . . . . 2.09 110.311 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -70.03 135.64 49.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.73 -0.841 . . . . 2.55 108.73 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.78 143.9 51.11 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.998 0.428 . . . . 1.04 111.796 -178.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.94 116.14 19.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.162 -1.051 . . . . 1.95 108.162 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.557 ' SD ' H192 ' A' ' 201' ' ' CHO . 23.2 mtt -120.6 163.68 17.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.413 0.625 . . . . 1.01 112.173 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 10.0 tt0 -153.42 145.15 23.43 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.863 -1.162 . . . . 1.47 107.863 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.646 HG21 H162 ' A' ' 201' ' ' CHO . 20.8 p -103.2 167.63 9.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.136 0.494 . . . . 1.03 110.788 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.715 ' SD ' H122 ' A' ' 200' ' ' CHO . 54.2 mtt -64.12 -14.13 52.72 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.394 -0.821 . . . . 1.64 110.353 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.34 -9.27 67.28 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.897 -0.592 . . . . 0.48 112.204 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.35 31.23 8.08 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.065 -0.588 . . . . 0.48 113.501 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.599 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 5.7 mtp85 -91.44 122.54 34.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.567 -0.373 . . . . 1.1 110.959 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' HZ3' ' CD ' ' A' ' 72' ' ' GLU . 66.0 mmtt -96.43 120.83 37.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.564 -0.902 . . . . 2.27 108.564 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.694 ' HZ ' H182 ' A' ' 201' ' ' CHO . 35.6 p90 -164.02 176.21 9.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.063 0.458 . . . . 2.02 111.874 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -141.82 142.81 33.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.311 -0.859 . . . . 3.12 109.903 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.44 161.41 39.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.12 -0.491 . . . . 1.05 110.483 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -103.45 122.47 44.95 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.3 -0.63 . . . . 1.01 109.3 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.44 140.06 22.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.267 -0.424 . . . . 1.11 110.184 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -128.1 178.74 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.789 -0.448 . . . . 1.79 109.789 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.5 mtt -131.57 117.86 19.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.605 -0.27 . . . . 1.02 110.29 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -110.4 96.66 6.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.916 0.389 . . . . 2.67 110.933 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.45 43.45 92.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.251 -0.499 . . . . 0.6 112.918 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.48 23.06 68.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.42 112.786 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -124.28 122.21 37.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.491 -0.559 . . . . 2.39 109.491 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.441 HG21 ' CE1' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -77.94 108.95 11.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.745 -0.465 . . . . 1.03 109.745 179.349 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 p -115.7 133.67 61.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.043 -0.526 . . . . 1.08 110.982 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.65 ' HB1' ' H12' ' A' ' 201' ' ' CHO . . . -117.51 141.54 48.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.805 -0.634 . . . . 1.03 109.654 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.92 122.45 44.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.321 0.581 . . . . 1.19 111.595 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.528 ' CE2' H111 ' A' ' 201' ' ' CHO . 75.8 m-85 -139.48 157.63 70.06 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.093 -0.958 . . . . 2.2 110.288 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.51 112.41 1.93 Allowed 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 121.986 1.791 . . . . 0.42 111.747 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 114' ' ' SER . 0.7 OUTLIER 61.99 12.92 5.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.634 -0.712 . . . . 1.9 111.866 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.53 ' HA ' ' O ' ' A' ' 113' ' ' THR . 7.1 t80 -130.28 126.3 36.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.431 -0.581 . . . . 2.24 109.431 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.497 ' O ' ' HA ' ' A' ' 112' ' ' SER . 34.6 t60 -122.99 115.18 21.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.998 -0.546 . . . . 1.37 109.599 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.722 ' ND1' H122 ' A' ' 201' ' ' CHO . 3.1 t-160 -113.01 115.76 28.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.661 0.267 . . . . 0.92 110.749 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.3 p -125.87 128.79 48.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.223 -0.444 . . . . 1.03 109.916 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.5 137.13 52.75 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 123.134 0.271 . . . . 1.09 110.455 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.59 -176.23 5.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.101 0.477 . . . . 1.38 111.096 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.2 mm -115.24 123.49 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.18 -0.918 . . . . 1.13 109.444 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.6 m -132.83 104.02 6.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.226 -0.443 . . . . 1.86 109.893 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.51 36.14 76.46 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.894 -0.594 . . . . 0.96 112.375 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.14 26.2 72.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.024 -0.607 . . . . 0.62 111.936 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -132.99 147.87 52.27 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.718 -0.241 . . . . 1.8 110.368 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.476 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -91.91 114.75 27.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.813 -0.81 . . . . 1.49 108.813 179.202 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.5 p -116.29 108.1 24.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.7 0.762 . . . . 1.1 109.719 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.448 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 6.6 mt-10 -96.03 119.0 33.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.163 -0.926 . . . . 1.69 109.705 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.33 129.98 50.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.816 -0.629 . . . . 1.14 109.716 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 72.9 m -128.71 111.2 12.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.076 -0.511 . . . . 0.6 110.141 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -96.59 131.46 43.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.145 -0.479 . . . . 1.03 110.48 179.041 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 43.7 p -140.63 111.68 7.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.667 -0.494 . . . . 1.92 109.667 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.4 m 59.18 26.61 15.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.89 -0.595 . . . . 1.17 111.443 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.63 -28.35 13.64 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.735 -0.745 . . . . 0.52 113.189 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 113' ' ' THR . 71.0 t -72.4 126.57 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.911 0.356 . . . . 1.24 111.096 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.3 t -100.1 105.4 17.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.868 -0.606 . . . . 1.61 110.756 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -91.84 127.31 37.25 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.81 -0.632 . . . . 2.13 109.41 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -121.58 130.13 53.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.955 0.407 . . . . 1.77 111.17 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.448 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -127.96 123.41 34.77 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.426 -0.583 . . . . 3.06 109.426 178.251 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 3.8 m -101.33 118.63 37.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.588 -0.733 . . . . 1.13 110.009 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m -116.85 132.05 56.8 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.823 -0.626 . . . . 0.67 110.434 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.563 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 8.1 pttm -81.0 155.52 26.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.919 -0.582 . . . . 2.01 110.24 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.491 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -98.7 123.98 43.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 2.1 110.728 -179.556 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.573 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -139.98 167.59 18.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.714 -0.847 . . . . 1.13 108.714 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.55 -0.738 . . . . 1.27 111.026 179.84 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.926 ' HO7' ' H41' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.887 ' HO7' ' H41' ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.628 0.251 . . . . 1.69 110.739 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -86.03 -27.52 24.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.511 -0.313 . . . . 2.16 110.666 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.53 141.66 58.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.125 -0.489 . . . . 1.02 110.914 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.28 168.39 12.03 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 120.571 -0.823 . . . . 0.24 111.714 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -98.6 142.41 30.22 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.836 -0.801 . . . . 2.15 108.836 178.353 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 83.3 m-85 -128.63 140.7 51.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.557 -0.292 . . . . 2.2 110.756 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -124.49 158.07 33.75 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.249 -0.432 . . . . 1.41 110.68 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.91 135.68 23.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 2.7 111.388 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -137.37 -55.45 0.7 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.568 -0.742 . . . . 1.46 109.837 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.5 m -152.39 144.28 23.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.15 -0.477 . . . . 1.28 110.841 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.8 151.43 45.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 1.72 110.1 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.485 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 4.1 tt0 -135.33 147.5 49.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.478 -0.328 . . . . 1.44 110.609 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 58.48 45.04 17.08 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.573 -0.74 . . . . 1.16 110.923 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.689 ' OH ' ' HA ' ' A' ' 32' ' ' ARG . 1.9 t80 -64.48 -68.82 0.32 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.497 -0.774 . . . . 2.27 111.996 -178.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.445 ' HA ' HG21 ' A' ' 18' ' ' VAL . 13.0 m-20 -64.81 -35.57 81.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.338 -0.392 . . . . 1.3 111.251 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -60.4 -42.73 96.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.271 0.558 . . . . 1.46 110.768 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -67.68 -53.39 28.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.676 -0.693 . . . . 2.15 111.112 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 15' ' ' ASP . 27.5 m -63.13 -35.22 70.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.022 -0.535 . . . . 1.08 111.803 -178.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -71.33 -28.72 64.29 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.821 0.344 . . . . 1.67 110.48 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -75.1 -46.62 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 1.53 111.022 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.4 pt -74.19 -9.27 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 1.06 111.576 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.02 32.55 48.76 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.884 -0.674 . . . . 0.42 112.645 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD22 HG12 ' A' ' 28' ' ' ILE . 20.1 tp -68.08 133.14 91.79 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.441 -0.577 . . . . 1.11 109.441 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.69 136.61 63.49 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.125 1.883 . . . . 0.4 111.457 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.38 67.8 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.026 -0.534 . . . . 1.12 110.983 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.12 -42.98 86.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.522 -0.763 . . . . 2.03 110.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HE3' H222 ' A' ' 200' ' ' CHO . 23.7 mmmt -86.87 -23.16 25.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.432 -0.349 . . . . 1.47 110.453 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 32' ' ' ARG . 21.7 mt -62.37 -57.3 12.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.196 0 CA-C-O 120.907 0.384 . . . . 1.13 109.986 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.25 -28.47 68.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 1.73 110.209 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.9 tpt -68.46 -35.55 77.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.662 -0.699 . . . . 1.63 110.153 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.65 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -114.91 43.53 1.67 Allowed Glycine 0 N--CA 1.44 -1.092 0 C-N-CA 120.549 -0.834 . . . . 0.51 112.299 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.689 ' HA ' ' OH ' ' A' ' 14' ' ' TYR . 7.4 ptm180 -124.31 134.1 53.28 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.773 0.321 . . . . 2.94 110.335 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 63.67 27.52 14.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.371 -0.831 . . . . 2.14 110.408 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.4 m -97.53 140.03 32.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.116 -0.493 . . . . 1.22 110.885 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -72.77 85.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 3.03 110.997 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.3 mm -85.37 123.75 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.6 . . . . 1.4 110.019 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 t -100.78 128.43 52.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.272 -0.422 . . . . 1.11 110.077 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.7 m -110.03 105.79 15.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.156 -0.474 . . . . 1.05 109.857 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -100.64 114.81 28.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.778 0.323 . . . . 1.39 110.237 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.555 ' HA ' ' O ' ' A' ' 48' ' ' THR . 59.5 t -109.31 135.14 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 1.03 112.352 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -123.01 132.51 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.96 -0.756 . . . . 1.56 108.96 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -91.43 115.27 27.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.028 0.442 . . . . 2.06 111.721 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -126.61 76.43 1.63 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.831 -0.622 . . . . 2.31 109.366 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.09 -102.76 1.28 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 110.649 -0.98 . . . . 0.42 110.649 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.67 6.46 12.42 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.217 -0.66 . . . . 0.51 109.217 177.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -102.43 110.36 22.28 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.121 -0.945 . . . . 1.36 109.057 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -106.49 130.86 54.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.71 -0.478 . . . . 1.66 109.71 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.555 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -95.23 129.1 42.48 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.048 -0.524 . . . . 1.34 111.713 -179.695 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.671 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -110.49 103.09 11.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.202 -0.666 . . . . 0.48 109.202 179.115 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 38' ' ' THR . 4.7 m -101.65 121.74 42.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.904 -0.589 . . . . 1.1 110.746 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.415 ' HB3' ' HE1' ' A' ' 74' ' ' MET . 37.6 mm-40 -107.46 117.69 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.641 -0.503 . . . . 1.62 109.641 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -105.1 126.29 51.92 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.387 0.613 . . . . 0.46 111.307 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.454 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.3 t80 -106.06 122.31 42.74 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 114.745 -1.116 . . . . 2.11 109.79 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.5 Cg_endo -64.79 114.05 2.6 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.136 1.891 . . . . 0.51 112.175 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.58 28.82 72.94 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.861 -0.685 . . . . 0.52 112.526 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.97 -166.67 11.76 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.369 -0.919 . . . . 0.41 112.374 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.47 140.49 38.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 3.97 110.449 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -95.23 158.65 15.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.203 -0.453 . . . . 1.07 110.663 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.1 126.28 24.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.86 -0.609 . . . . 1.11 109.555 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 m -136.7 121.2 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.133 -0.354 . . . . 1.04 111.257 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.589 ' ND2' ' HA ' ' A' ' 71' ' ' MET . 18.6 m120 -129.77 143.84 51.01 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.118 0.485 . . . . 2.22 110.96 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.7 p -115.81 128.7 56.03 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.383 -0.826 . . . . 1.32 109.297 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.445 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 45.9 p90 -131.32 140.11 49.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.101 0.477 . . . . 1.55 111.172 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.2 m -107.32 130.93 54.71 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.743 -0.662 . . . . 1.03 109.378 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.423 HG21 ' HA ' ' A' ' 84' ' ' LYS . 51.8 mm -54.1 125.46 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 116.36 -0.382 . . . . 1.05 111.29 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.17 29.36 3.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.359 1.064 . . . . 1.1 110.583 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 5.5 tppt? -138.15 151.95 48.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.752 -0.658 . . . . 2.09 111.231 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 59.2 mm-40 -72.57 130.84 41.53 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.62 -0.882 . . . . 2.55 108.62 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -129.16 135.63 49.11 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.412 -0.515 . . . . 1.04 112.039 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.5 117.23 15.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.348 -0.842 . . . . 1.95 109.152 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.589 ' HA ' ' ND2' ' A' ' 61' ' ' ASN . 31.0 mtt -119.65 165.99 13.76 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.597 0.962 . . . . 1.01 113.597 -178.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 28.6 tt0 -155.18 142.74 19.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.138 -0.937 . . . . 1.47 109.115 178.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.675 HG22 H222 ' A' ' 201' ' ' CHO . 43.3 p -98.83 173.16 7.0 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.787 -0.449 . . . . 1.03 109.787 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.795 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 28.4 mtt -76.5 -12.53 60.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.199 -0.455 . . . . 1.64 110.287 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.422 ' N ' H161 ' A' ' 200' ' ' CHO . . . -84.09 -8.04 84.45 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.797 -0.716 . . . . 0.48 111.385 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.75 33.0 6.9 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.963 -0.637 . . . . 0.48 112.513 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.0 mtp180 -97.38 125.11 41.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.779 -0.368 . . . . 1.1 110.491 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.43 122.69 44.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.873 -0.788 . . . . 2.27 108.873 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.752 ' HZ ' H182 ' A' ' 201' ' ' CHO . 41.9 p90 -163.78 -179.88 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.616 -0.72 . . . . 2.02 109.785 -177.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.73 154.49 40.61 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.873 -0.788 . . . . 3.12 108.873 176.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.487 ' O ' ' HE1' ' A' ' 71' ' ' MET . . . -154.94 164.33 39.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.173 0.511 . . . . 1.05 112.067 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.3 137.2 32.84 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.629 -0.714 . . . . 1.01 110.264 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.0 144.37 32.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.457 -0.571 . . . . 1.11 109.457 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.454 ' HG2' HG11 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -140.76 172.4 12.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.905 0.32 . . . . 1.79 110.915 179.431 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.4 ' HE3' HG12 ' A' ' 90' ' ' ILE . 2.6 mtt -120.57 122.71 41.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.642 -0.253 . . . . 1.02 110.627 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -120.36 96.8 5.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.895 0.379 . . . . 2.67 110.969 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.78 37.27 66.37 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 121.16 -0.543 . . . . 0.6 113.162 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.04 28.27 46.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.42 111.946 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -133.99 121.09 21.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.798 -0.445 . . . . 2.39 109.798 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.4 HG12 ' HE3' ' A' ' 85' ' ' MET . 2.1 mt -79.51 110.64 15.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 110.003 -0.369 . . . . 1.03 110.003 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.454 HG11 ' HG2' ' A' ' 84' ' ' LYS . 3.7 p -114.1 132.55 62.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.228 0.537 . . . . 1.08 110.805 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.639 ' HB1' ' H12' ' A' ' 201' ' ' CHO . . . -108.45 136.04 48.74 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.324 -0.853 . . . . 1.03 109.93 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -93.72 122.96 36.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.035 0.445 . . . . 1.19 111.741 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.571 ' CZ ' H181 ' A' ' 201' ' ' CHO . 76.7 m-85 -143.88 153.12 57.04 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 2.2 110.572 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.15 115.34 4.11 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.194 1.929 . . . . 0.42 111.367 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 114' ' ' SER . 64.4 t30 69.39 16.17 8.32 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.385 0.612 . . . . 1.9 110.271 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.55 ' HA ' ' O ' ' A' ' 113' ' ' THR . 4.4 t80 -144.73 126.52 15.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 2.24 109.84 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.545 ' O ' ' HA ' ' A' ' 112' ' ' SER . 20.3 t60 -123.86 117.18 24.26 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.368 -0.605 . . . . 1.37 109.368 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.68 ' ND1' H122 ' A' ' 201' ' ' CHO . 1.8 t60 -116.24 118.25 32.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.759 -0.201 . . . . 0.92 110.732 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.9 p -127.41 129.1 46.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.744 0.307 . . . . 1.03 111.113 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.75 131.58 56.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.44 -0.345 . . . . 1.09 110.109 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.24 175.36 10.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.042 0.448 . . . . 1.38 110.907 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.9 mm -124.21 111.6 29.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.506 -0.77 . . . . 1.13 109.574 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 m -132.31 106.7 8.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.213 -0.448 . . . . 1.86 110.394 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.12 27.82 29.94 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.949 -0.569 . . . . 0.96 111.837 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.92 30.6 72.33 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.817 -0.706 . . . . 0.62 111.445 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -138.31 149.86 46.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.054 0.454 . . . . 1.8 110.364 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -93.72 113.47 25.55 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.458 -0.792 . . . . 1.49 109.04 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -117.19 109.46 27.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.524 0.678 . . . . 1.1 109.72 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -96.14 131.35 42.68 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.412 -0.813 . . . . 1.69 110.195 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.402 HG23 HG11 ' A' ' 118' ' ' VAL . 4.2 mp -112.02 124.03 68.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.002 -0.545 . . . . 1.14 109.706 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 19.5 m -122.12 109.9 15.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.933 -0.576 . . . . 0.6 109.735 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.55 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -99.52 134.17 42.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.31 -0.405 . . . . 1.03 111.107 -179.698 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 56.5 m -144.32 107.27 4.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.173 -0.467 . . . . 1.92 109.986 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.1 m 60.41 33.14 20.73 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.698 -0.683 . . . . 1.17 111.576 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.65 -36.74 4.18 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.501 -0.857 . . . . 0.52 113.278 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 113' ' ' THR . 56.2 t -68.01 123.3 21.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.863 0.363 . . . . 1.24 111.144 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.402 HG11 HG23 ' A' ' 111' ' ' ILE . 99.8 t -100.76 107.93 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.89 -0.595 . . . . 1.61 111.026 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -92.22 112.85 24.95 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.069 -0.514 . . . . 2.13 109.758 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.485 ' HD2' ' OE2' ' A' ' 12' ' ' GLU . 22.3 mttt -107.64 131.29 54.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.566 -0.288 . . . . 1.77 111.155 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -131.41 118.84 20.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.569 0.7 . . . . 3.06 109.587 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.2 m -102.32 123.27 45.82 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.577 -0.738 . . . . 1.13 110.125 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.8 m -121.62 136.64 54.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.243 -0.435 . . . . 0.67 110.059 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.0 pttm -80.18 156.9 26.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.354 -0.384 . . . . 2.01 110.24 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 126.8 41.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.461 . . . . 2.1 111.213 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.4 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -143.36 166.52 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.438 -0.801 . . . . 1.13 109.507 178.678 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.576 -0.726 . . . . 1.27 109.851 179.056 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.914 ' HO7' ' H41' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.752 H182 ' HZ ' ' A' ' 79' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.888 0.375 . . . . 1.69 110.763 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -98.56 -23.68 15.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.511 -0.313 . . . . 2.16 111.026 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.56 138.17 58.25 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.059 0.392 . . . . 1.02 112.059 -179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 170.02 11.75 Favored Glycine 0 N--CA 1.44 -1.061 0 C-N-CA 120.737 -0.744 . . . . 0.24 112.413 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 141.87 28.1 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.58 -0.896 . . . . 2.15 108.58 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 97.2 m-85 -127.05 142.53 51.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.504 -0.316 . . . . 2.2 110.34 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -129.69 148.31 51.56 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.973 -0.291 . . . . 1.41 110.348 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -45.65 114.33 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.292 0.995 . . . . 2.7 112.682 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -109.85 -56.16 2.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.461 -0.791 . . . . 1.46 110.341 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 m -146.37 166.18 27.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.51 -0.314 . . . . 1.28 110.66 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.55 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 8.6 t70 -151.57 156.19 39.97 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.0 -0.37 . . . . 1.72 110.0 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -151.85 136.77 17.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 1.44 111.112 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.07 36.35 9.86 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.219 -0.9 . . . . 1.16 112.098 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.55 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 38.4 t80 -63.52 -62.81 1.43 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.313 0.486 . . . . 2.27 112.313 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.442 ' HA ' HG21 ' A' ' 18' ' ' VAL . 4.9 m-20 -58.63 -38.46 78.11 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.113 0.412 . . . . 1.3 112.113 -178.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.76 -39.74 89.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.325 0.583 . . . . 1.46 109.642 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.456 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 59.6 t80 -68.26 -55.58 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.059 -0.973 . . . . 2.15 111.155 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 15' ' ' ASP . 31.5 m -60.86 -35.4 64.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.086 -0.507 . . . . 1.08 112.126 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -71.09 -26.93 63.26 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 120.913 -0.315 . . . . 1.67 110.949 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -81.6 -44.4 17.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.841 0.353 . . . . 1.53 111.625 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.6 pt -70.75 -17.07 20.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.271 -0.422 . . . . 1.06 111.685 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.43 39.18 9.17 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.768 -0.729 . . . . 0.42 112.354 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.582 HD23 H181 ' A' ' 200' ' ' CHO . 16.0 tp -78.36 134.41 62.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.16 -0.311 . . . . 1.11 110.16 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.78 145.59 69.55 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.399 2.066 . . . . 0.4 111.795 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.73 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 1.12 111.521 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' MET . 13.3 m-20 -59.18 -37.17 76.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.552 -0.749 . . . . 2.03 111.705 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' O ' H183 ' A' ' 200' ' ' CHO . 75.4 mmtt -88.43 -34.26 17.58 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 121.036 -0.266 . . . . 1.47 110.642 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.454 HG12 HD21 ' A' ' 23' ' ' LEU . 64.3 mt -55.83 -56.51 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 1.13 110.904 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.518 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 11.5 mm-40 -67.39 -31.61 71.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.143 0.497 . . . . 1.73 111.116 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.471 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 9.4 tpt -65.76 -38.77 89.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.57 -0.741 . . . . 1.63 110.178 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.516 ' HA2' ' HG ' ' A' ' 34' ' ' CYS . . . -109.85 37.91 3.56 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.766 -0.73 . . . . 0.51 114.253 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.518 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.5 ptp180 -119.9 135.46 54.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.87 0.835 . . . . 2.94 111.011 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 59.46 22.51 11.03 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.4 -0.818 . . . . 2.14 111.95 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.516 ' HG ' ' HA2' ' A' ' 31' ' ' GLY . 1.1 p -94.16 151.49 19.44 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.085 -0.339 . . . . 1.22 110.085 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HG3' ' HG3' ' A' ' 54' ' ' PRO . 2.5 ptpt -80.68 88.97 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.721 0.772 . . . . 3.03 111.782 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mm -85.35 123.74 39.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.728 -0.669 . . . . 1.4 109.741 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.405 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 5.4 t -98.33 125.46 51.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.262 -0.427 . . . . 1.11 110.166 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.696 ' HA ' ' O ' ' A' ' 50' ' ' THR . 25.0 m -107.6 106.0 16.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.759 -0.655 . . . . 1.05 110.289 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 58.9 mt-10 -94.18 117.66 30.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.048 -0.352 . . . . 1.39 110.048 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 48' ' ' THR . 59.7 t -111.11 124.47 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 123.467 0.48 . . . . 1.03 111.376 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.49 126.75 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 108.602 -0.888 . . . . 1.56 108.602 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -91.91 120.87 32.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.042 0.449 . . . . 2.06 111.853 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -128.16 75.34 1.61 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.715 -0.675 . . . . 2.31 109.235 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.07 -95.81 0.76 Allowed Glycine 0 CA--C 1.507 -0.42 0 N-CA-C 111.339 -0.704 . . . . 0.42 111.339 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.16 9.23 10.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.229 -0.656 . . . . 0.51 109.229 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 35.5 t70 -108.13 108.97 20.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.07 -0.968 . . . . 1.36 109.339 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -104.69 137.7 42.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.353 -0.61 . . . . 1.66 109.353 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 73.2 p -99.08 139.08 35.25 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 120.937 0.399 . . . . 1.34 110.531 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.686 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.8 OUTLIER -118.4 102.45 8.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.956 -0.565 . . . . 0.48 109.503 179.214 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.696 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.3 m -101.92 124.36 47.41 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.089 -0.505 . . . . 1.1 110.232 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -110.14 116.8 32.19 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.384 -0.599 . . . . 1.62 109.384 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.405 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 92.9 m-70 -105.66 125.9 51.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.106 0.479 . . . . 0.46 111.304 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.471 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 2.2 t80 -102.15 122.64 46.18 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-N 115.163 -0.926 . . . . 2.11 109.344 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 39.7 Cg_endo -66.03 114.4 2.98 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.257 1.971 . . . . 0.51 111.147 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.9 26.99 71.42 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.588 -0.815 . . . . 0.52 112.091 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.21 -165.15 11.59 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.497 -0.859 . . . . 0.41 113.064 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.88 146.74 33.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.988 0.423 . . . . 3.97 111.187 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -98.47 156.79 16.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.237 -0.438 . . . . 1.07 110.691 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -136.51 114.04 10.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.262 -0.427 . . . . 1.11 110.454 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.7 m -121.83 127.06 50.12 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.874 0.324 . . . . 1.04 111.874 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.616 ' ND2' ' HA ' ' A' ' 71' ' ' MET . 23.5 m120 -138.37 130.51 28.58 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.107 0.48 . . . . 2.22 110.578 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.42 ' O ' ' HB1' ' A' ' 69' ' ' ALA . 60.3 p -105.2 136.65 44.32 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.696 -0.684 . . . . 1.32 109.38 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.459 ' CZ ' ' H3 ' ' A' ' 201' ' ' CHO . 53.4 p90 -136.2 138.07 41.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.434 0.635 . . . . 1.55 111.832 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.512 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 80.7 m -105.29 132.8 51.03 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.614 -0.721 . . . . 1.03 109.638 178.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.22 126.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.491 -0.322 . . . . 1.05 110.687 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t70 75.65 25.08 1.23 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.887 0.851 . . . . 1.1 109.139 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.512 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 9.7 tppt? -137.68 149.45 46.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.997 -1.001 . . . . 2.09 110.776 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -83.51 126.81 33.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.851 -0.796 . . . . 2.55 108.851 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 62' ' ' SER . . . -123.47 140.76 52.68 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.457 0.54 . . . . 1.04 112.457 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.7 115.37 13.04 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.304 -0.628 . . . . 1.95 109.304 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.616 ' HA ' ' ND2' ' A' ' 61' ' ' ASN . 8.0 mtt -115.44 161.38 18.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.951 0.722 . . . . 1.01 112.951 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 30.5 tt0 -148.74 143.48 26.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.469 -0.787 . . . . 1.47 109.764 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.593 HG21 H222 ' A' ' 201' ' ' CHO . 25.4 p -101.05 168.41 9.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.492 -0.558 . . . . 1.03 109.492 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.688 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 40.1 mtt -75.12 -1.1 21.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.851 0.358 . . . . 1.64 110.099 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.39 -1.36 64.43 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.325 -0.71 . . . . 0.48 111.325 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.99 25.48 26.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.014 -0.612 . . . . 0.48 112.337 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 12.3 mtp180 -93.24 120.17 33.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.965 0.412 . . . . 1.1 110.948 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -100.26 123.19 44.19 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.614 -0.884 . . . . 2.27 108.614 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.767 ' HZ ' H182 ' A' ' 201' ' ' CHO . 42.6 p90 -163.39 -177.15 5.13 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 116.169 -0.469 . . . . 2.02 109.77 -177.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.6 151.25 29.52 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.735 -0.839 . . . . 3.12 108.735 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.68 164.92 34.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.854 0.359 . . . . 1.05 111.727 -177.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.35 133.42 39.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.828 -0.624 . . . . 1.01 110.095 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -119.3 137.16 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.089 -0.505 . . . . 1.11 110.601 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.4 ' HG2' HG12 ' A' ' 91' ' ' VAL . 2.4 pttp -129.72 168.66 16.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.654 0.264 . . . . 1.79 110.408 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -121.83 128.54 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.765 0.316 . . . . 1.02 110.41 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -141.02 119.17 12.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.373 -0.376 . . . . 2.67 110.408 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.23 31.63 71.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.019 -0.61 . . . . 0.6 112.06 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.12 31.41 69.3 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.816 -0.707 . . . . 0.42 111.341 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -133.1 129.62 38.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.028 -0.36 . . . . 2.39 110.028 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.8 mt -84.11 111.35 19.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.074 -0.512 . . . . 1.03 110.026 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.4 HG12 ' HG2' ' A' ' 84' ' ' LYS . 6.3 p -114.07 133.26 60.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.223 0.535 . . . . 1.08 110.223 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.553 ' HB1' ' H12' ' A' ' 201' ' ' CHO . . . -107.43 136.86 46.5 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.038 -0.528 . . . . 1.03 111.082 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -86.67 119.53 27.01 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.3 -0.409 . . . . 1.19 111.722 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 70.6 m-85 -146.31 151.63 44.46 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.902 -0.59 . . . . 2.2 110.878 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.54 115.53 4.33 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.727 2.285 . . . . 0.42 111.557 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 64.57 17.77 11.04 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.31 0.576 . . . . 1.9 110.56 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.511 ' CE1' H211 ' A' ' 201' ' ' CHO . 4.0 t80 -140.06 130.1 24.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.403 0.62 . . . . 2.24 110.191 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -129.56 111.66 12.95 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.824 -0.626 . . . . 1.37 110.095 179.285 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 5.6 t60 -112.56 115.55 28.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.022 0.439 . . . . 0.92 110.579 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.8 p -123.05 129.41 51.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.944 -0.571 . . . . 1.03 110.922 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.1 134.95 54.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.31 -0.405 . . . . 1.09 110.161 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.86 176.67 11.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.668 0.271 . . . . 1.38 111.228 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.3 mm -115.02 111.79 37.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.787 -0.642 . . . . 1.13 109.958 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.0 m -123.74 105.55 9.77 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.006 0.431 . . . . 1.86 110.427 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.28 36.23 50.9 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.96 111.903 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.71 26.33 74.55 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 121.167 -0.54 . . . . 0.62 112.403 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -135.08 148.22 49.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.827 0.346 . . . . 1.8 111.272 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.53 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -88.92 116.52 27.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.01 -0.737 . . . . 1.49 109.01 179.23 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.6 p -120.6 111.39 31.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 N-CA-C 109.724 -0.473 . . . . 1.1 109.724 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.426 ' CD ' HH21 ' A' ' 121' ' ' ARG . 22.9 mt-10 -99.08 134.8 41.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.698 -0.683 . . . . 1.69 110.385 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 4.2 mp -115.66 130.51 70.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.656 -0.702 . . . . 1.14 109.632 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.6 m -125.34 108.78 12.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.26 -0.645 . . . . 0.6 109.26 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -98.93 128.41 45.09 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.405 -0.362 . . . . 1.03 111.635 -179.515 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.0 p -137.41 108.01 6.57 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.428 -0.582 . . . . 1.92 109.428 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.6 m 57.9 41.44 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.129 0.49 . . . . 1.17 111.116 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.74 -32.43 5.83 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.63 -0.795 . . . . 0.52 112.819 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 113' ' ' THR . 98.0 t -65.27 113.4 2.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.725 0.297 . . . . 1.24 110.419 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.3 t -95.7 109.45 22.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.111 -0.495 . . . . 1.61 111.038 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 111' ' ' ILE . 69.7 t80 -94.02 134.64 36.21 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.747 -0.661 . . . . 2.13 109.821 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -130.27 138.38 50.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.775 0.321 . . . . 1.77 111.555 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.426 HH21 ' CD ' ' A' ' 110' ' ' GLU . 23.0 ptt180 -141.21 122.2 14.57 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.171 -0.677 . . . . 3.06 109.171 177.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.9 m -100.22 131.15 46.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.566 -0.743 . . . . 1.13 110.636 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.9 m -126.78 132.87 50.95 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.008 -0.542 . . . . 0.67 110.186 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 53.1 pttt -80.01 155.31 27.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.196 -0.456 . . . . 2.01 109.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.522 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -99.78 122.92 43.47 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.019 -0.363 . . . . 2.1 110.019 -179.413 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.94 164.69 34.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.905 -0.589 . . . . 1.13 109.61 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.968 -0.539 . . . . 1.27 110.309 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 1.06 ' C7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 1.06 H262 ' C7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.62 0.247 . . . . 1.69 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -83.52 -25.13 31.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.462 -0.335 . . . . 2.16 110.258 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -61.72 139.52 58.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 1.02 111.505 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.05 172.06 12.76 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.448 -0.882 . . . . 0.24 112.169 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -97.51 142.14 29.71 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.818 -1.178 . . . . 2.15 107.818 178.028 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 99.6 m-85 -126.28 139.2 53.5 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.753 -0.379 . . . . 2.2 110.959 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -122.85 142.92 50.24 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.355 -0.839 . . . . 1.41 108.951 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.73 129.96 17.16 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.732 0.645 . . . . 2.7 111.04 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -123.52 -55.24 1.74 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.958 -0.564 . . . . 1.46 110.537 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.5 m -148.69 164.97 32.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.258 -0.428 . . . . 1.28 110.708 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.87 159.3 44.64 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.475 -0.565 . . . . 1.72 109.475 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 4.9 tt0 -145.87 138.72 25.81 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.957 -0.565 . . . . 1.44 110.031 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 58.76 41.41 21.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.903 -1.044 . . . . 1.16 111.586 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.64 -57.8 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.031 -0.268 . . . . 2.27 111.322 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -60.87 -38.31 85.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.751 0.31 . . . . 1.3 111.727 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -40.71 94.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.344 0.592 . . . . 1.46 110.285 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.426 ' O ' HG12 ' A' ' 21' ' ' ILE . 73.2 t80 -64.54 -51.35 63.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.256 -0.884 . . . . 2.15 110.654 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.42 -37.83 81.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.648 . . . . 1.08 111.789 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 2.0 mmpt? -67.03 -32.38 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.676 -0.41 . . . . 1.67 110.295 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -73.43 -53.81 9.78 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.928 -0.578 . . . . 1.53 111.488 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 17' ' ' PHE . 19.7 pt -68.69 -3.81 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.861 -0.609 . . . . 1.06 111.235 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.77 39.1 93.5 Favored Glycine 0 C--O 1.237 0.304 0 C-N-CA 121.269 -0.491 . . . . 0.42 113.267 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 HD23 HG12 ' A' ' 28' ' ' ILE . 16.8 tp -73.42 134.83 79.33 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.134 -0.321 . . . . 1.11 110.134 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.419 ' HD2' HD11 ' A' ' 23' ' ' LEU . 30.5 Cg_endo -66.68 141.89 61.87 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.234 1.956 . . . . 0.4 111.41 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.25 -37.58 62.22 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.116 -0.493 . . . . 1.12 111.68 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -54.7 -40.29 69.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.447 -0.797 . . . . 2.03 111.056 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.502 ' HD2' H222 ' A' ' 200' ' ' CHO . 35.5 mmtt -88.56 -32.44 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.587 -0.278 . . . . 1.47 110.936 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.465 HG12 HD23 ' A' ' 23' ' ' LEU . 79.9 mt -57.28 -61.25 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.498 . . . . 1.13 111.378 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.4 -29.35 68.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.838 -0.619 . . . . 1.73 111.117 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.46 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 11.1 tpt -67.66 -40.34 84.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.791 -0.64 . . . . 1.63 110.461 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.545 ' CA ' H212 ' A' ' 200' ' ' CHO . . . -97.45 25.06 28.76 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.709 -0.757 . . . . 0.51 113.157 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -125.06 145.8 49.74 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 122.218 -0.578 . . . . 2.94 110.58 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 57.88 27.03 14.03 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.585 -0.734 . . . . 2.14 111.102 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -106.93 156.39 18.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.082 -0.508 . . . . 1.22 110.6 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 84.69 7.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.44 0.638 . . . . 3.03 111.464 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mm -82.12 122.69 37.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.653 -0.703 . . . . 1.4 110.118 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 2.8 t -103.94 125.06 58.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.958 -0.386 . . . . 1.11 109.958 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.765 ' HA ' ' O ' ' A' ' 50' ' ' THR . 18.7 m -115.34 110.18 19.0 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.193 -0.458 . . . . 1.05 111.189 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.31 110.63 23.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.967 0.413 . . . . 1.39 110.243 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.59 126.75 65.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.58 -0.737 . . . . 1.03 111.047 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.585 HG13 ' OG1' ' A' ' 48' ' ' THR . 7.1 p -113.92 136.99 48.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.48 -0.563 . . . . 1.56 109.48 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -85.28 112.54 20.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.281 0.563 . . . . 2.06 111.455 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -125.92 74.08 1.4 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.611 -0.722 . . . . 2.31 109.915 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.34 -102.89 1.0 Allowed Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.448 -1.061 . . . . 0.42 110.448 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.79 9.76 11.44 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.053 -0.721 . . . . 0.51 109.053 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -103.45 109.09 20.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.604 -1.18 . . . . 1.36 109.448 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.38 130.48 54.19 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.003 0.43 . . . . 1.66 110.449 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.585 ' OG1' HG13 ' A' ' 41' ' ' VAL . 77.9 p -91.48 121.0 32.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.197 -0.456 . . . . 1.34 110.803 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.548 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -100.47 100.45 11.21 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.303 -0.999 . . . . 0.48 108.303 178.571 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.765 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.8 m -106.78 117.82 35.06 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.937 -0.574 . . . . 1.1 110.596 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -112.06 119.04 37.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.968 0.414 . . . . 1.62 110.634 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -102.17 127.7 48.98 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.894 -0.594 . . . . 0.46 110.582 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.499 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.5 t80 -101.6 125.83 36.15 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.45 -0.795 . . . . 2.11 110.313 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.499 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.1 Cg_endo -61.7 115.38 2.75 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.742 2.295 . . . . 0.51 112.032 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.0 18.1 64.14 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.716 -0.674 . . . . 0.52 112.851 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.13 -169.66 11.95 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.643 -0.789 . . . . 0.41 112.882 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.46 142.13 46.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.952 0.406 . . . . 3.97 111.798 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 t -88.54 157.03 18.75 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.554 -0.535 . . . . 1.07 109.554 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.4 m -140.0 118.8 12.45 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.43 -0.35 . . . . 1.11 110.12 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 m -127.07 128.72 46.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.02 0.438 . . . . 1.04 111.751 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.548 ' ND2' ' HB3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -139.01 115.73 10.71 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.569 -0.741 . . . . 2.22 109.565 177.556 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.1 m -98.06 146.9 25.08 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.241 -0.89 . . . . 1.32 109.784 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.438 ' CD1' ' H5 ' ' A' ' 201' ' ' CHO . 51.5 p90 -146.61 148.85 32.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.192 0.52 . . . . 1.55 112.228 -177.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.43 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 39.9 m -113.53 129.26 56.59 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.421 -0.808 . . . . 1.03 109.588 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.5 mm -55.75 125.25 10.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.648 -0.251 . . . . 1.05 110.908 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t0 76.24 22.19 1.36 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 124.188 0.93 . . . . 1.1 110.455 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' HE3' ' O ' ' A' ' 68' ' ' GLU . 38.2 tptt -138.1 141.58 40.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.579 -0.737 . . . . 2.09 110.152 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.471 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -70.56 134.37 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.767 -0.827 . . . . 2.55 108.767 177.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.82 152.99 46.22 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.555 0.576 . . . . 1.04 112.555 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.26 118.33 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.235 -0.893 . . . . 1.95 109.619 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.56 ' SD ' H192 ' A' ' 201' ' ' CHO . 6.6 mtt -122.82 168.73 11.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.213 0.53 . . . . 1.01 112.019 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.541 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 16.8 tt0 -155.94 142.58 18.71 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.373 -0.973 . . . . 1.47 108.373 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 p -97.84 170.75 8.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.912 -0.403 . . . . 1.03 109.912 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.774 ' CB ' ' H17' ' A' ' 200' ' ' CHO . 44.9 mtt -73.55 -14.39 61.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.335 -0.393 . . . . 1.64 110.075 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.421 ' N ' H161 ' A' ' 200' ' ' CHO . . . -80.02 -19.71 69.34 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.795 -0.639 . . . . 0.48 111.615 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.65 38.86 2.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.107 -0.568 . . . . 0.48 112.598 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.9 mtp180 -103.51 127.32 50.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.785 -0.244 . . . . 1.1 110.894 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -101.29 122.89 44.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.965 -0.754 . . . . 2.27 108.965 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.715 ' HZ ' H182 ' A' ' 201' ' ' CHO . 53.4 p90 -161.67 172.3 16.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 2.02 112.274 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -139.45 138.47 36.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.162 -0.926 . . . . 3.12 109.682 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.79 162.78 37.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.048 -0.523 . . . . 1.05 111.244 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.2 138.86 33.2 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.262 -0.427 . . . . 1.01 109.955 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.75 140.02 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 116.185 -0.461 . . . . 1.11 109.934 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -134.68 178.47 6.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.662 -0.496 . . . . 1.79 109.662 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 mtt -128.45 135.39 49.41 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.624 0.249 . . . . 1.02 110.906 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -130.69 103.42 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.237 -0.438 . . . . 2.67 110.585 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.52 42.95 99.65 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.056 -0.592 . . . . 0.6 112.954 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.47 19.6 76.05 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.072 -0.585 . . . . 0.42 112.985 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.461 ' HZ2' ' CD ' ' A' ' 102' ' ' GLU . 7.0 mtpp -123.53 126.91 47.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.518 -0.549 . . . . 2.39 109.518 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 mt -81.53 114.78 23.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.506 -0.553 . . . . 1.03 109.506 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.5 p -116.06 136.13 53.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.231 0.539 . . . . 1.08 111.547 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.72 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -118.14 147.92 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.721 -0.672 . . . . 1.03 110.452 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -106.69 123.31 47.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.989 0.424 . . . . 1.19 111.326 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.512 ' CZ ' H181 ' A' ' 201' ' ' CHO . 68.0 m-85 -142.7 152.92 60.73 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.78 -0.645 . . . . 2.2 110.792 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.73 113.99 3.38 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.32 2.013 . . . . 0.42 111.442 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 63.08 20.24 12.16 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.954 -0.566 . . . . 1.9 110.695 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.562 ' CE1' H211 ' A' ' 201' ' ' CHO . 6.5 t80 -142.65 128.57 19.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.12 0.486 . . . . 2.24 109.936 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.542 ' O ' ' HA ' ' A' ' 112' ' ' SER . 8.3 t60 -125.84 114.5 18.65 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.408 -0.59 . . . . 1.37 109.408 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.451 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 8.7 t60 -116.39 119.7 36.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.868 0.366 . . . . 0.92 111.27 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.9 p -125.94 131.34 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 1.03 110.015 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.32 140.86 49.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.332 -0.394 . . . . 1.09 110.374 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.461 ' CD ' ' HZ2' ' A' ' 89' ' ' LYS . 5.8 pt-20 -160.79 171.7 18.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.919 0.39 . . . . 1.38 110.881 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.0 mm -112.17 116.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.783 -0.644 . . . . 1.13 110.219 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 p -112.45 96.48 6.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.458 -0.337 . . . . 1.86 110.753 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.5 32.99 64.23 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.939 -0.648 . . . . 0.96 112.562 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.3 12.27 70.64 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.401 -0.904 . . . . 0.62 112.763 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -122.31 139.24 54.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.858 0.361 . . . . 1.8 110.481 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.465 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.0 tm? -84.66 124.91 32.01 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.856 -0.611 . . . . 1.49 109.49 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -129.56 122.24 54.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 116.06 -0.518 . . . . 1.1 110.199 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -108.57 129.94 55.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.584 -0.735 . . . . 1.69 110.197 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.466 ' HA ' ' O ' ' A' ' 119' ' ' TYR . 5.0 mp -111.73 132.41 60.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.919 -0.582 . . . . 1.14 109.479 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.542 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.3 m -130.17 108.4 10.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.149 -0.478 . . . . 0.6 110.676 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.74 130.78 36.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.39 -0.368 . . . . 1.03 111.089 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.5 p -134.87 103.65 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.223 -0.444 . . . . 1.92 110.809 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.7 m 56.33 25.17 9.1 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.994 -0.548 . . . . 1.17 112.265 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 118.19 -32.5 5.24 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.649 -0.786 . . . . 0.52 112.89 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.59 119.93 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 117.048 0.424 . . . . 1.24 110.747 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.8 t -96.39 107.15 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.988 -0.551 . . . . 1.61 110.786 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 111' ' ' ILE . 46.1 t80 -90.79 142.83 27.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.761 -0.654 . . . . 2.13 109.893 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 1.9 mttt -137.1 142.48 42.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.799 0.333 . . . . 1.77 110.898 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.97 121.84 12.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.527 -0.545 . . . . 3.06 109.527 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 23.9 m -104.52 132.23 51.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.069 -0.514 . . . . 1.13 111.257 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.4 m -124.89 136.94 54.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.837 -0.619 . . . . 0.67 109.726 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 5.9 pttm -79.23 155.61 28.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.414 -0.357 . . . . 2.01 110.238 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.5 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -100.22 121.21 41.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 2.1 110.717 -179.781 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.72 167.59 17.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.442 -0.799 . . . . 1.13 109.06 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.19 -0.91 . . . . 1.27 109.558 178.059 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 0.893 ' HO7' ' H41' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 0.843 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.841 0.353 . . . . 1.69 110.695 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -79.7 -21.7 44.3 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.293 -0.412 . . . . 2.16 110.504 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 141.54 55.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.139 0.495 . . . . 1.02 111.906 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.22 167.99 12.34 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.147 -1.025 . . . . 0.24 111.947 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.4 OUTLIER -94.47 144.02 25.92 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.344 -0.984 . . . . 2.15 108.344 178.281 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.563 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 94.7 m-85 -126.36 138.02 53.52 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.473 -0.331 . . . . 2.2 110.309 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -126.35 146.26 50.12 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.979 -0.555 . . . . 1.41 110.055 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -45.59 130.19 8.86 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.267 0.979 . . . . 2.7 112.251 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -127.41 -46.52 1.47 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.222 -0.899 . . . . 1.46 109.484 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -156.01 166.09 34.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 1.28 110.474 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -148.47 163.45 37.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.277 -0.638 . . . . 1.72 109.277 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -152.93 135.25 15.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.148 0.499 . . . . 1.44 110.531 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 60.3 31.2 20.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.698 -1.137 . . . . 1.16 112.046 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -63.74 -56.47 15.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.831 0.348 . . . . 2.27 111.179 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.405 ' HA ' HG23 ' A' ' 18' ' ' VAL . 3.1 m-20 -61.47 -37.17 82.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.165 -0.47 . . . . 1.3 111.288 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -36.91 84.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.117 -0.492 . . . . 1.46 110.697 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.499 ' O ' HG12 ' A' ' 21' ' ' ILE . 40.8 t80 -69.35 -52.42 27.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.517 -0.765 . . . . 2.15 110.939 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 15' ' ' ASP . 34.2 m -61.04 -37.41 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.882 -0.599 . . . . 1.08 111.454 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -72.73 -23.73 60.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.864 0.364 . . . . 1.67 110.823 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -80.59 -47.91 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 1.53 111.078 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 17' ' ' PHE . 30.2 pt -73.34 -16.7 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.457 -0.338 . . . . 1.06 111.837 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.71 30.56 23.59 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.645 -0.788 . . . . 0.42 112.697 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 HD13 H152 ' A' ' 200' ' ' CHO . 16.9 tp -61.82 136.08 94.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.206 -0.294 . . . . 1.11 110.206 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.25 140.69 65.61 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.498 2.132 . . . . 0.4 111.804 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.74 -35.76 66.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.118 -0.492 . . . . 1.12 111.346 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -40.91 76.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.538 -0.755 . . . . 2.03 110.955 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -88.95 -33.7 17.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 1.47 110.885 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.442 HG12 HD21 ' A' ' 23' ' ' LEU . 46.3 mt -55.52 -55.33 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 N-CA-C 109.814 -0.439 . . . . 1.13 109.814 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 5.4 mm-40 -62.6 -36.14 81.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.396 -0.82 . . . . 1.73 110.745 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.415 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 7.7 tpt -64.05 -36.38 83.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.511 -0.768 . . . . 1.63 111.201 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.95 30.37 7.46 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.615 -0.802 . . . . 0.51 113.711 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' HD2' ' OE1' ' A' ' 29' ' ' GLU . 5.2 mtt180 -90.3 105.29 17.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.491 0.646 . . . . 2.94 111.777 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.42 24.74 11.97 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.337 -0.847 . . . . 2.14 112.217 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.0 m -80.45 145.65 31.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.18 -0.464 . . . . 1.22 109.999 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 7.3 ptpt -75.83 93.28 3.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.808 0.67 . . . . 3.03 112.808 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 mm -87.24 129.81 38.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.848 -0.615 . . . . 1.4 110.087 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 51' ' ' GLN . 4.4 t -102.31 134.78 42.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.567 -0.531 . . . . 1.11 109.567 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.523 HG23 ' OE1' ' A' ' 51' ' ' GLN . 38.1 m -119.86 108.3 14.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.372 -0.376 . . . . 1.05 110.348 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.457 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 27.6 mt-10 -97.49 115.78 28.45 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.124 -0.324 . . . . 1.39 110.124 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 48' ' ' THR . 54.5 t -111.72 129.28 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.888 -0.596 . . . . 1.03 112.033 -178.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.4 t -118.9 133.36 66.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.264 -1.013 . . . . 1.56 108.264 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.79 119.46 39.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.755 0.65 . . . . 2.06 112.755 -177.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -134.35 74.92 1.56 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.57 1.176 . . . . 2.31 109.394 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.58 -109.47 3.41 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 114.687 -1.142 . . . . 0.42 111.448 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.85 13.61 17.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.05 0.452 . . . . 0.51 109.889 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -108.72 111.73 23.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.481 -0.781 . . . . 1.36 109.73 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -108.81 138.01 45.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.298 -0.41 . . . . 1.66 110.574 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 17.2 p -101.36 139.99 36.27 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.267 -0.424 . . . . 1.34 110.651 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.478 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -121.38 100.24 6.92 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.682 -0.859 . . . . 0.48 108.682 178.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.457 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 8.3 m -103.99 108.97 20.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.943 -0.572 . . . . 1.1 110.566 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.523 ' OE1' HG23 ' A' ' 38' ' ' THR . 7.1 mm100 -99.35 119.19 37.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.944 -0.571 . . . . 1.62 111.176 -178.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.462 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 97.1 m-70 -106.86 120.95 43.39 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.939 -0.573 . . . . 0.46 110.571 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 4.0 t80 -90.01 129.94 44.26 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 114.905 -1.043 . . . . 2.11 109.712 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.585 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 14.7 Cg_endo -58.54 114.73 2.11 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.208 1.939 . . . . 0.51 111.928 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.39 27.04 67.11 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.897 -0.592 . . . . 0.52 111.806 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.97 -167.67 11.18 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.429 -0.891 . . . . 0.41 112.499 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.75 146.85 35.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 122.449 0.3 . . . . 3.97 111.007 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 t -98.08 160.23 14.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.678 0.275 . . . . 1.07 110.356 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.8 111.86 7.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.483 -0.326 . . . . 1.11 110.821 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.444 ' HG1' HG21 ' A' ' 50' ' ' THR . 3.0 m -105.75 129.95 53.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.947 0.403 . . . . 1.04 111.52 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -125.66 147.22 49.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.322 -0.621 . . . . 2.22 109.322 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.1 p -130.54 126.48 36.9 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.94 -0.763 . . . . 1.32 108.94 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.477 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 51.8 p90 -136.25 147.51 47.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.482 0.658 . . . . 1.55 112.151 -178.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.465 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 96.9 m -115.71 130.65 56.93 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.321 -0.854 . . . . 1.03 108.972 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.421 HG22 ' HA ' ' A' ' 84' ' ' LYS . 47.4 mm -55.45 127.78 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.044 0.449 . . . . 1.05 111.78 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t70 70.38 24.64 4.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.229 -0.896 . . . . 1.1 109.639 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 18.4 tptm -137.39 142.4 41.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.985 -1.007 . . . . 2.09 110.085 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.3 140.94 52.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.035 -0.728 . . . . 2.55 109.035 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.67 161.8 30.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.498 0.555 . . . . 1.04 112.498 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -96.38 114.03 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.933 -1.03 . . . . 1.95 108.369 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.627 ' SD ' H192 ' A' ' 201' ' ' CHO . 12.2 mtt -119.39 165.78 13.89 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.538 0.685 . . . . 1.01 111.849 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.69 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.6 tt0 -157.21 139.26 14.42 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.625 -1.17 . . . . 1.47 109.057 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.453 HG21 H162 ' A' ' 201' ' ' CHO . 18.9 p -95.8 166.1 11.97 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.854 -0.424 . . . . 1.03 109.854 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 61.5 mtm -74.2 -1.69 21.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.235 0.541 . . . . 1.64 109.886 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.725 ' CA ' H161 ' A' ' 200' ' ' CHO . . . -90.08 -12.59 61.65 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.869 -0.892 . . . . 0.48 110.869 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.95 35.89 4.39 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.115 -0.564 . . . . 0.48 112.715 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.69 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 20.1 mtp85 -111.93 117.85 33.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.692 0.246 . . . . 1.1 110.985 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.18 122.99 45.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.25 -1.018 . . . . 2.27 108.25 178.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.781 ' HZ ' H182 ' A' ' 201' ' ' CHO . 36.7 p90 -150.72 176.12 11.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.936 0.398 . . . . 2.02 111.675 -177.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.23 133.73 47.67 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.726 -0.67 . . . . 3.12 109.236 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.73 161.45 41.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.25 -0.432 . . . . 1.05 110.381 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.55 140.63 30.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.664 0.269 . . . . 1.01 110.443 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.72 137.57 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.638 -0.505 . . . . 1.11 109.638 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' A' ' 65' ' ' ILE . 33.3 pttt -134.79 -178.06 4.91 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.803 -0.443 . . . . 1.79 109.803 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.2 mtt -129.2 138.36 51.68 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.154 -0.218 . . . . 1.02 110.708 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 0.9 OUTLIER -120.98 76.71 1.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.197 0.523 . . . . 2.67 111.275 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.81 49.06 9.22 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.701 -0.761 . . . . 0.6 113.294 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.4 5.94 88.16 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.927 -0.654 . . . . 0.42 112.871 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -118.3 125.06 49.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.963 -0.754 . . . . 2.39 108.963 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.8 mt -79.7 120.97 32.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.796 -0.362 . . . . 1.03 110.733 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.4 HG13 ' HG3' ' A' ' 84' ' ' LYS . 6.6 p -120.4 131.67 72.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.225 0.536 . . . . 1.08 110.357 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.773 ' HB3' ' H12' ' A' ' 201' ' ' CHO . . . -106.4 149.49 26.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.041 -0.527 . . . . 1.03 111.097 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -99.47 120.25 39.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 1.19 111.004 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.525 ' CZ ' H181 ' A' ' 201' ' ' CHO . 78.5 m-85 -148.68 151.05 34.85 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.297 -0.41 . . . . 2.2 110.467 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.94 116.11 4.6 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.574 2.182 . . . . 0.42 111.489 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 114' ' ' SER . 65.5 t30 64.46 20.5 12.18 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.508 0.67 . . . . 1.9 110.037 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.1 t80 -143.61 119.23 10.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.705 -0.68 . . . . 2.24 110.748 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 112' ' ' SER . 17.0 t60 -118.57 103.82 10.08 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.663 -0.865 . . . . 1.37 108.663 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -109.77 120.2 41.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.626 -0.261 . . . . 0.92 110.939 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.0 p -126.39 150.69 48.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.897 -0.592 . . . . 1.03 111.199 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.12 135.31 46.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.731 -0.668 . . . . 1.09 109.976 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -154.12 173.58 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.02 0.438 . . . . 1.38 110.73 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 mm -110.17 124.54 67.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.503 -0.771 . . . . 1.13 109.596 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.2 m -133.5 102.83 5.66 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.038 -0.528 . . . . 1.86 109.949 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.35 36.66 49.51 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.747 -0.661 . . . . 0.96 111.982 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.72 20.01 77.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.84 -0.695 . . . . 0.62 111.592 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -127.45 149.32 50.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.9 0.381 . . . . 1.8 110.682 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.9 tm? -90.9 120.85 32.25 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.733 -0.667 . . . . 1.49 109.242 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.4 p -123.13 113.92 39.87 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.449 0.642 . . . . 1.1 110.145 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -98.29 136.34 38.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.567 -0.742 . . . . 1.69 109.885 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.58 123.41 71.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.836 -0.62 . . . . 1.14 109.602 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.4 m -123.68 122.73 38.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.153 -0.476 . . . . 0.6 109.731 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.569 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -113.06 136.62 52.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.557 -0.292 . . . . 1.03 111.771 -179.594 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 50.3 m -149.88 112.36 4.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.913 -0.585 . . . . 1.92 110.503 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 57.8 m 57.7 39.68 27.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.398 -0.819 . . . . 1.17 112.228 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.43 -29.0 10.94 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.876 -0.678 . . . . 0.52 114.309 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.1 t -77.25 125.6 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.542 0.671 . . . . 1.24 111.283 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.2 t -103.89 111.01 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.684 -0.689 . . . . 1.61 110.597 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.464 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 5.0 t80 -100.36 131.86 46.05 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.624 -0.716 . . . . 2.13 109.553 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -130.34 150.7 51.45 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 120.914 0.388 . . . . 1.77 111.125 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.644 ' NH1' ' H22' ' A' ' 200' ' ' CHO . 15.5 ptt-85 -145.33 131.21 19.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.107 -0.497 . . . . 3.06 110.163 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.6 m -104.24 125.29 50.39 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.704 -0.68 . . . . 1.13 110.698 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.9 m -123.89 137.38 54.65 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.894 -0.41 . . . . 0.67 109.894 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.563 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 12.7 pttm -80.61 159.0 25.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.404 -0.362 . . . . 2.01 111.208 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.498 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -99.02 121.48 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.077 0.465 . . . . 2.1 110.12 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.559 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -141.75 168.23 15.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.581 -0.736 . . . . 1.13 109.548 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.373 -0.822 . . . . 1.27 109.732 178.696 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 1.105 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 1.105 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.264 0.078 . . . . 1.69 111.001 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -75.76 -30.04 59.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.744 -0.207 . . . . 2.16 111.435 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.26 142.92 50.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.147 0.498 . . . . 1.02 112.336 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.498 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 128.28 174.3 13.7 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.756 -0.735 . . . . 0.24 112.294 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.06 145.05 25.79 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.919 -0.771 . . . . 2.15 108.919 178.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 98.1 m-85 -127.28 145.54 50.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.699 0.285 . . . . 2.2 110.358 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -134.8 156.13 49.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.793 -0.64 . . . . 1.41 109.515 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -49.04 129.38 17.54 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.7 0.625 . . . . 2.7 111.392 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 122' ' ' THR . 8.8 tp10 -126.6 -56.06 1.4 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.75 -0.659 . . . . 1.46 110.03 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.3 m -148.24 164.41 34.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.398 -0.819 . . . . 1.28 109.738 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.578 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 12.7 t70 -153.86 156.01 36.81 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.424 -0.584 . . . . 1.72 109.424 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 60.8 tt0 -151.48 134.52 15.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.205 0.526 . . . . 1.44 111.531 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 60.69 41.66 14.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.797 -1.092 . . . . 1.16 111.987 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.578 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 18.2 t80 -69.55 -59.0 3.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.465 -0.334 . . . . 2.27 111.467 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.405 ' HA ' HG23 ' A' ' 18' ' ' VAL . 5.1 m-20 -57.92 -46.27 85.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.3 111.463 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.92 -42.34 75.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.288 0.566 . . . . 1.46 110.927 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -66.17 -56.66 10.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.124 -0.944 . . . . 2.15 111.378 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 15' ' ' ASP . 35.3 m -60.8 -34.36 58.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.709 -0.678 . . . . 1.08 112.424 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -71.27 -27.57 63.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.679 0.276 . . . . 1.67 111.024 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.21 -39.57 25.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 1.53 111.861 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 pt -79.97 -6.06 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.042 0.449 . . . . 1.06 111.388 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.63 35.91 34.94 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.995 -0.621 . . . . 0.42 113.484 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 28' ' ' ILE . 22.7 tp -70.91 132.81 86.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.228 -0.656 . . . . 1.11 109.228 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.34 138.75 56.83 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.974 1.783 . . . . 0.4 111.194 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.3 -32.47 62.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.112 -0.495 . . . . 1.12 111.377 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -41.85 78.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.442 -0.799 . . . . 2.03 110.442 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' O ' H183 ' A' ' 200' ' ' CHO . 69.3 mmtt -88.41 -30.82 19.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.973 -0.558 . . . . 1.47 110.408 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.419 HG12 HD23 ' A' ' 23' ' ' LEU . 55.9 mt -59.55 -58.14 8.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 1.13 110.208 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 45.4 mm-40 -66.7 -18.34 65.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.796 -0.638 . . . . 1.73 110.714 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.429 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.8 tpt -85.04 -29.59 24.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.758 -0.655 . . . . 1.63 111.246 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.548 ' CA ' H212 ' A' ' 200' ' ' CHO . . . -111.99 23.53 16.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.369 -0.919 . . . . 0.51 113.758 -178.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.488 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.6 ptp180 -105.28 127.6 53.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.02 0.41 . . . . 2.94 110.485 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.33 23.49 11.95 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.563 -0.744 . . . . 2.14 111.548 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.8 m -90.05 153.58 20.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.131 -0.486 . . . . 1.22 109.985 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -85.33 93.59 8.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.352 0.596 . . . . 3.03 112.106 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.92 122.37 51.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.682 -0.69 . . . . 1.4 109.62 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.4 t -94.39 126.68 46.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.294 -0.412 . . . . 1.11 110.952 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.688 ' HA ' ' O ' ' A' ' 50' ' ' THR . 28.5 m -110.58 107.31 16.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.351 -0.386 . . . . 1.05 110.129 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -96.33 110.92 23.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.191 -0.3 . . . . 1.39 110.191 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 48' ' ' THR . 69.6 t -103.75 124.74 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.023 -0.535 . . . . 1.03 111.959 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.524 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 94.2 t -111.27 127.13 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.611 -0.885 . . . . 1.56 108.611 178.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -95.78 135.29 37.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.249 0.547 . . . . 2.06 112.082 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -152.0 86.83 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.218 -0.901 . . . . 2.31 109.577 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.6 -96.9 0.45 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.979 -0.629 . . . . 0.42 111.979 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.3 8.72 10.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.513 -0.551 . . . . 0.51 109.513 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -101.97 120.46 40.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.505 -0.77 . . . . 1.36 110.783 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -120.67 127.42 52.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.907 -0.588 . . . . 1.66 109.629 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -94.54 126.39 39.79 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.106 -0.497 . . . . 1.34 111.742 -179.667 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.553 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.5 OUTLIER -103.96 101.16 10.94 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.292 -1.003 . . . . 0.48 108.292 178.246 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.688 ' O ' ' HA ' ' A' ' 38' ' ' THR . 7.3 m -109.74 110.22 21.16 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.19 -0.459 . . . . 1.1 110.4 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -104.31 117.76 34.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.302 0.572 . . . . 1.62 110.876 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -101.24 131.31 47.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.424 -0.807 . . . . 0.46 110.759 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.578 ' CZ ' H211 ' A' ' 200' ' ' CHO . 5.7 t80 -107.59 132.94 20.62 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-N 116.043 -0.526 . . . . 2.11 109.729 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.15 111.96 1.93 Allowed 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 121.829 1.686 . . . . 0.51 111.597 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.59 24.28 70.98 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 115.925 -0.58 . . . . 0.52 113.631 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.52 -166.76 10.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.326 -0.94 . . . . 0.41 112.789 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 150.32 49.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.534 0.207 . . . . 3.97 110.977 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.5 t -108.78 149.23 29.36 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.243 -0.651 . . . . 1.07 109.243 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.8 m -127.34 111.73 14.22 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.981 0.419 . . . . 1.11 109.903 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -119.93 115.23 23.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.161 -0.472 . . . . 1.04 111.448 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -122.96 131.02 53.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.408 0.623 . . . . 2.22 110.355 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -109.17 123.78 49.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.236 -0.893 . . . . 1.32 109.66 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.412 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 50.8 p90 -131.96 149.72 52.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.276 0.56 . . . . 1.55 111.743 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.4 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 36.5 m -120.52 130.55 54.3 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.484 -0.78 . . . . 1.03 108.902 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.9 mm -55.1 126.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.597 -0.274 . . . . 1.05 111.143 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t70 74.02 23.02 2.26 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.294 0.997 . . . . 1.1 110.121 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 32.3 tptt -137.74 140.07 40.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.229 -0.896 . . . . 2.09 110.339 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -69.25 140.91 54.51 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.436 -0.579 . . . . 2.55 109.436 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -133.34 150.57 51.85 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.331 0.493 . . . . 1.04 112.331 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' CG ' ' HZ2' ' A' ' 78' ' ' LYS . 10.3 t70 -83.99 120.07 25.67 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.223 -1.028 . . . . 1.95 108.223 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.506 ' SD ' ' C19' ' A' ' 201' ' ' CHO . 15.5 mtt -121.53 170.68 9.44 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.512 0.672 . . . . 1.01 112.014 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.629 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 6.4 tt0 -160.31 145.51 14.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.614 -1.175 . . . . 1.47 108.705 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.466 HG22 H162 ' A' ' 201' ' ' CHO . 26.7 p -89.58 -178.46 5.56 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.723 -0.391 . . . . 1.03 110.136 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.771 ' HB2' ' H14' ' A' ' 200' ' ' CHO . 43.7 mtt -82.19 -11.36 58.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.929 -0.767 . . . . 1.64 108.929 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.59 -15.6 58.1 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.39 -0.823 . . . . 0.48 111.417 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.67 61.0 0.92 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.023 -0.608 . . . . 0.48 112.753 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.629 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 15.4 mtp180 -122.67 124.95 44.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.297 -0.261 . . . . 1.1 110.297 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.451 ' HZ2' ' CG ' ' A' ' 70' ' ' ASP . 22.8 mmmt -93.69 122.85 36.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.866 0.365 . . . . 2.27 110.845 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.751 ' HZ ' H182 ' A' ' 201' ' ' CHO . 47.3 p90 -160.28 168.53 25.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 2.02 110.498 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -132.37 144.49 50.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.211 -0.449 . . . . 3.12 109.837 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.473 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -148.0 162.32 39.57 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.301 -0.409 . . . . 1.05 110.775 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.68 133.05 46.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.157 -0.683 . . . . 1.01 109.157 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.7 t -114.63 141.13 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 110.22 -0.289 . . . . 1.11 110.22 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.46 ' CG ' HG11 ' A' ' 91' ' ' VAL . 11.3 pttt -130.71 -179.53 5.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.856 -0.424 . . . . 1.79 109.856 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 89' ' ' LYS . 1.7 mtt -135.33 133.32 38.68 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.132 -0.227 . . . . 1.02 110.552 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -131.03 108.17 9.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.985 0.421 . . . . 2.67 110.28 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.91 88.51 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.037 -0.601 . . . . 0.6 112.849 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.54 17.4 66.29 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.51 -0.852 . . . . 0.42 112.485 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 85' ' ' MET . 69.1 mttt -116.52 126.44 53.34 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.972 -0.381 . . . . 2.39 109.972 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.2 mt -82.36 109.46 16.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.86 0.362 . . . . 1.03 110.225 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.46 HG11 ' CG ' ' A' ' 84' ' ' LYS . 1.5 p -111.43 130.05 65.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.976 -0.556 . . . . 1.08 111.477 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.719 ' HB3' ' H12' ' A' ' 201' ' ' CHO . . . -107.94 142.39 38.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 1.03 110.78 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -99.78 120.47 39.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.284 0.564 . . . . 1.19 111.835 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.475 ' CZ ' H181 ' A' ' 201' ' ' CHO . 81.1 m-85 -143.27 154.4 60.78 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.42 -0.809 . . . . 2.2 110.264 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -72.39 114.26 3.95 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.243 1.962 . . . . 0.42 111.638 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.543 ' O ' ' HA ' ' A' ' 114' ' ' SER . 66.9 t30 70.93 -0.44 3.04 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.307 0.643 . . . . 1.9 111.45 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 113' ' ' THR . 4.0 t80 -122.55 127.57 49.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.164 -0.471 . . . . 2.24 109.786 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.488 ' O ' ' HA ' ' A' ' 112' ' ' SER . 40.8 t60 -124.55 113.52 18.19 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.061 -0.718 . . . . 1.37 109.061 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -115.25 115.45 26.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.693 0.283 . . . . 0.92 111.307 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.425 HG23 ' HB ' ' A' ' 91' ' ' VAL . 14.4 p -123.02 128.92 50.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.127 -0.488 . . . . 1.03 110.511 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.81 137.89 51.66 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.127 -0.323 . . . . 1.09 110.127 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.465 ' O ' HD21 ' A' ' 108' ' ' LEU . 13.1 pt-20 -155.4 179.26 9.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.897 0.38 . . . . 1.38 111.294 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.427 HG23 HD12 ' A' ' 103' ' ' ILE . 45.3 mm -116.53 110.96 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 115.692 -0.686 . . . . 1.13 109.753 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 m -119.81 113.22 20.28 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.139 -0.482 . . . . 1.86 110.068 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.37 71.26 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.83 -0.7 . . . . 0.96 111.599 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.9 21.08 75.07 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.903 -0.665 . . . . 0.62 111.533 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -129.48 142.83 50.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 1.8 111.204 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.2 tm? -81.99 121.99 27.22 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.79 -0.819 . . . . 1.49 108.79 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -126.76 118.56 51.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-O 121.139 0.495 . . . . 1.1 110.14 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -101.95 133.2 47.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.645 -0.707 . . . . 1.69 109.805 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.1 mp -115.0 124.11 71.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 108.597 -0.89 . . . . 1.14 108.597 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 2.5 m -121.86 114.0 20.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.103 -0.499 . . . . 0.6 110.576 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.538 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -101.07 132.25 46.59 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.19 -0.459 . . . . 1.03 110.455 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 49.2 m -145.76 114.25 6.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.269 -0.423 . . . . 1.92 109.914 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.9 m 60.98 27.71 17.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.981 -0.554 . . . . 1.17 111.307 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.47 -14.77 64.47 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.978 -0.63 . . . . 0.52 112.432 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 113' ' ' THR . 47.1 t -80.54 122.65 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.928 -0.397 . . . . 1.24 109.928 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 38.7 t -100.01 119.41 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.038 0.447 . . . . 1.61 110.94 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -106.46 130.08 54.32 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.493 -0.776 . . . . 2.13 109.419 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 54.8 mttt -123.08 142.6 50.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.034 0.445 . . . . 1.77 111.182 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 1.3 ptp180 -143.77 133.58 23.88 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.045 -0.525 . . . . 3.06 109.952 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 1.8 m -112.31 130.11 56.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.141 -0.481 . . . . 1.13 110.543 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.5 m -125.26 133.13 52.78 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.754 -0.657 . . . . 0.67 110.029 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 7.5 pttm -80.64 154.33 27.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.388 -0.369 . . . . 2.01 110.325 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.498 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -100.69 119.29 38.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.197 -0.456 . . . . 2.1 110.219 -179.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.79 165.28 30.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.172 -0.467 . . . . 1.13 109.842 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.191 -0.909 . . . . 1.27 109.814 179.647 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' CHO . . . . . 1.131 ' C7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' CHO . . . . . 1.131 H262 ' C7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.743 0.306 . . . . 1.24 110.814 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.547 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 2.0 m -58.12 127.84 34.13 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.97 0.414 . . . . 0.26 111.981 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.47 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 139.59 174.98 13.92 Favored Glycine 0 N--CA 1.438 -1.183 0 C-N-CA 120.401 -0.904 . . . . 0.21 112.333 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 141.27 28.66 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.199 -0.667 . . . . 1.54 109.199 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.554 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 66.1 m-85 -123.4 139.96 53.49 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.375 -0.375 . . . . 1.29 110.124 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HB2' HD11 ' A' ' 126' ' ' ILE . 29.5 mt-10 -127.65 143.79 51.13 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 110.03 -0.359 . . . . 1.41 110.03 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -49.52 124.53 9.58 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.925 0.765 . . . . 1.86 111.754 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.51 -51.65 2.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.701 . . . . 1.46 110.71 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 m -151.09 169.93 20.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.94 -0.573 . . . . 1.01 111.051 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.523 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -158.1 163.76 37.31 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 110.014 -0.365 . . . . 1.72 110.014 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 19.3 tt0 -147.79 138.08 22.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 1.44 109.954 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 61.34 34.81 18.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.135 -0.939 . . . . 0.84 112.195 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.523 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 10.9 t80 -61.95 -59.15 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.627 0.251 . . . . 1.39 111.295 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.509 ' HA ' HG22 ' A' ' 18' ' ' VAL . 6.8 m-20 -61.7 -39.02 89.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 1.3 111.484 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -43.21 99.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.121 0.486 . . . . 1.46 110.484 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.479 ' O ' HG12 ' A' ' 21' ' ' ILE . 72.0 t80 -64.28 -53.04 55.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.468 -0.787 . . . . 1.24 110.964 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.509 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.3 m -61.22 -35.86 68.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.26 111.449 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -69.46 -28.46 66.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.692 0.282 . . . . 1.18 111.655 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HG3' ' CG2' ' A' ' 117' ' ' VAL . 18.2 mmmt -82.42 -46.52 13.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.629 0.252 . . . . 0.88 111.598 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 17' ' ' PHE . 30.4 pt -69.54 -9.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.429 . . . . 0.39 111.056 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.39 37.97 53.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.938 -0.649 . . . . 0.39 112.974 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.58 HD23 HG12 ' A' ' 28' ' ' ILE . 16.5 tp -71.53 133.73 84.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.621 -0.511 . . . . 0.31 109.621 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.552 ' HD2' HD12 ' A' ' 23' ' ' LEU . 34.3 Cg_endo -66.62 139.56 53.55 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.307 2.005 . . . . 0.37 111.603 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.22 57.29 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.97 -0.559 . . . . 0.39 111.742 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.31 -37.36 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.585 -0.734 . . . . 2.03 111.631 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -89.03 -33.02 17.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.56 -0.291 . . . . 0.94 111.207 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.58 HG12 HD23 ' A' ' 23' ' ' LEU . 71.5 mt -56.8 -62.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.839 -0.619 . . . . 0.37 111.875 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 4.2 mm-40 -68.28 -18.63 64.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 1.73 111.091 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.0 tpt -75.91 -42.7 48.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.796 -0.638 . . . . 0.97 109.617 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -100.27 32.23 7.56 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.659 -0.701 . . . . 0.51 113.905 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.468 ' HD2' ' OE1' ' A' ' 29' ' ' GLU . 9.3 ptm180 -123.36 141.15 52.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.765 0.782 . . . . 2.27 111.351 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.35 19.98 10.68 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.609 -0.723 . . . . 1.78 111.495 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.56 150.63 22.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.406 -0.361 . . . . 1.16 110.598 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 pttt -76.44 83.08 3.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.029 -0.532 . . . . 2.49 112.173 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.9 mm -80.73 123.86 37.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.513 . . . . 0.66 109.64 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 16.6 t -103.74 122.61 56.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 110.247 -0.279 . . . . 0.37 110.247 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.794 ' HA ' ' O ' ' A' ' 50' ' ' THR . 86.6 m -109.67 106.17 15.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.374 -0.376 . . . . 0.33 110.154 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -93.99 117.53 30.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.313 -0.403 . . . . 1.39 110.496 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -110.48 130.65 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.891 -0.595 . . . . 0.22 112.213 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.4 t -115.55 133.41 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.995 -0.548 . . . . 0.95 110.263 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.547 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 33.2 tp60 -83.08 111.9 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 2.06 110.635 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -130.72 73.9 1.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.462 -0.57 . . . . 1.73 109.462 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.75 -99.42 0.6 Allowed Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 111.026 -0.83 . . . . 0.4 111.026 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.04 6.81 10.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.308 -0.627 . . . . 0.43 109.308 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 37.2 t70 -100.1 108.35 20.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.846 -1.07 . . . . 1.36 109.513 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -103.09 128.49 49.97 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.898 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.3 p -89.4 121.29 31.5 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.179 -0.464 . . . . 0.56 111.058 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -104.24 99.92 9.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.064 -0.717 . . . . 0.42 109.064 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.794 ' O ' ' HA ' ' A' ' 38' ' ' THR . 6.0 m -104.29 121.04 42.51 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.13 -0.486 . . . . 0.35 110.697 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -109.08 117.26 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.623 -0.51 . . . . 1.62 109.623 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -102.73 133.16 48.23 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.069 0.462 . . . . 0.37 110.115 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -112.3 120.32 41.78 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.436 -0.802 . . . . 1.23 110.017 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.01 114.29 2.24 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.609 2.206 . . . . 0.46 112.598 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.08 24.66 74.6 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.46 113.094 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.66 -165.62 11.44 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.351 -0.928 . . . . 0.41 113.066 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.81 145.79 42.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.966 0.412 . . . . 3.34 111.333 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 t -101.43 161.7 13.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.844 -0.616 . . . . 0.39 110.43 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.27 131.1 21.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.31 -0.626 . . . . 0.49 109.31 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.7 m -137.05 119.14 15.43 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.022 -0.424 . . . . 0.31 110.91 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -131.53 116.72 17.81 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.012 0.435 . . . . 1.72 110.389 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.3 m -97.16 147.57 23.95 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.936 -0.764 . . . . 1.04 108.936 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' A' ' 90' ' ' ILE . 40.8 p90 -145.11 141.78 29.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.077 0.465 . . . . 0.88 111.679 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 50.5 m -106.16 124.81 50.16 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.732 -0.84 . . . . 0.25 108.732 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.05 124.17 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.575 -0.284 . . . . 0.24 111.186 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t0 78.01 22.45 0.82 Allowed 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.249 0.968 . . . . 1.1 110.259 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 34.8 tptt -137.9 144.9 41.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.405 -0.816 . . . . 1.59 110.354 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -71.55 130.28 40.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.457 -0.571 . . . . 2.55 109.457 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -120.55 148.56 43.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.034 0.445 . . . . 0.31 111.826 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.34 119.89 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.679 -1.23 . . . . 1.95 107.679 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.551 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 19.8 mtt -124.16 162.45 23.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.61 0.719 . . . . 0.26 112.874 -177.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 27.3 tt0 -151.84 144.63 24.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.648 -1.16 . . . . 1.47 108.775 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.693 HG23 ' HE1' ' A' ' 79' ' ' PHE . 32.0 p -100.98 176.01 5.41 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.846 0.355 . . . . 0.36 110.34 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 39.0 mtt -77.62 -17.52 57.7 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.292 -0.413 . . . . 1.05 110.494 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.21 -6.29 88.12 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.928 -0.654 . . . . 0.48 112.15 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.79 48.85 2.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.849 -0.691 . . . . 0.48 113.11 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.624 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.8 mtp85 -113.44 122.95 48.87 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.737 -0.273 . . . . 0.85 110.618 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -100.93 122.34 43.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.989 -0.745 . . . . 1.76 108.989 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.693 ' HE1' HG23 ' A' ' 73' ' ' THR . 48.3 p90 -162.3 175.82 11.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.2 0.524 . . . . 1.17 111.89 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.23 152.09 51.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.626 -0.715 . . . . 2.55 109.638 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -156.69 161.86 39.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.235 -0.439 . . . . 0.24 110.535 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.09 133.11 47.45 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.619 -0.512 . . . . 0.33 109.619 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.27 133.44 65.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.368 -0.378 . . . . 0.19 110.247 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -127.15 176.76 7.13 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.393 -0.595 . . . . 1.14 109.393 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 89' ' ' LYS . 2.1 mtt -125.57 132.8 52.48 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.984 -0.376 . . . . 0.41 109.984 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 4.8 pt-20 -121.11 84.84 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 2.67 111.324 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.45 41.97 28.74 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.406 -0.902 . . . . 0.46 112.758 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.87 8.23 82.83 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.36 112.878 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 24.2 mtpt -113.26 129.77 56.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.42 -0.585 . . . . 1.76 109.42 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.452 HG21 ' CE1' ' A' ' 63' ' ' PHE . 1.5 mt -84.74 114.2 24.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 110.112 -0.329 . . . . 0.22 110.112 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 p -116.81 131.49 69.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.353 0.597 . . . . 0.25 111.556 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -112.8 139.59 48.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.62 -0.718 . . . . 0.25 109.687 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -100.61 124.11 45.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.964 0.411 . . . . 1.19 111.368 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.49 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 76.6 m-85 -142.33 154.59 64.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.7 -0.682 . . . . 1.27 110.361 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -67.54 114.92 3.46 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.057 1.838 . . . . 0.36 111.668 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' A' ' 114' ' ' SER . 13.1 t-20 58.9 25.26 13.46 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.436 0.636 . . . . 1.5 110.589 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.579 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.6 t80 -146.03 122.57 11.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.361 -0.836 . . . . 1.31 109.555 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.485 ' O ' ' HA ' ' A' ' 112' ' ' SER . 19.5 t60 -125.67 114.78 19.13 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.834 -0.432 . . . . 1.09 109.834 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 8.3 t60 -112.97 124.89 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.165 0.291 . . . . 0.67 110.792 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.7 p -131.41 129.11 40.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.31 110.445 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.21 134.14 55.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.365 -0.379 . . . . 0.26 110.247 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -152.27 171.46 17.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.349 . . . . 1.38 110.733 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.9 mm -111.44 118.99 58.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.108 -0.496 . . . . 0.37 111.168 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -113.38 91.72 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.14 -0.482 . . . . 1.37 111.075 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.55 43.8 84.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.96 113.449 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.18 13.29 79.34 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.526 -0.845 . . . . 0.5 112.976 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -126.33 142.35 51.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.874 0.368 . . . . 1.22 110.318 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.54 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.8 tm? -92.53 123.47 35.86 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.593 -0.731 . . . . 0.82 109.34 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -124.8 118.5 53.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 121.368 0.604 . . . . 0.33 110.528 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -101.49 126.05 48.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.68 -0.691 . . . . 1.69 109.444 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 3.8 mp -108.86 122.74 63.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 109.458 -0.571 . . . . 0.37 109.458 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.3 m -122.95 108.94 13.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.052 -0.522 . . . . 0.37 110.61 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.807 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -94.92 131.74 40.5 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.596 -0.52 . . . . 0.27 109.596 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 5.7 t -151.8 119.34 6.05 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 120.966 0.413 . . . . 1.43 110.288 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.4 m 59.14 24.18 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.408 -0.814 . . . . 0.63 111.966 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 107.43 -28.79 11.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.46 113.391 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.566 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 67.8 t -80.31 129.83 36.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 117.173 0.486 . . . . 0.53 111.942 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.807 HG22 HG23 ' A' ' 113' ' ' THR . 87.5 t -101.58 106.93 20.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.583 -0.735 . . . . 0.97 110.121 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -93.81 128.55 40.12 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.967 -0.56 . . . . 1.22 110.281 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 51.7 mttt -122.41 144.67 48.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.353 -0.385 . . . . 1.17 110.332 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.62 116.34 9.23 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.879 -0.6 . . . . 2.48 109.729 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.1 m -96.51 125.96 41.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.808 -0.633 . . . . 0.43 110.207 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.6 m -124.66 132.9 53.38 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.18 -0.464 . . . . 0.38 109.981 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 15.6 pttm -80.22 154.17 28.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.375 -0.375 . . . . 1.45 110.819 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.554 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -97.73 118.58 34.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.139 0.495 . . . . 1.45 109.921 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.542 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -134.33 168.52 23.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 108.607 -0.886 . . . . 0.35 108.607 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.422 -0.799 . . . . 1.27 110.249 178.318 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.368 0.127 . . . . 1.24 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.97 140.07 57.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.079 0.466 . . . . 0.26 112.075 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.85 166.63 11.9 Favored Glycine 0 N--CA 1.439 -1.162 0 C-N-CA 120.772 -0.728 . . . . 0.21 111.834 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -95.48 142.75 27.46 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.79 -0.819 . . . . 1.54 108.79 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 95.0 m-85 -124.75 144.08 50.44 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 121.115 -0.234 . . . . 1.29 110.864 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' A' ' 126' ' ' ILE . 14.4 mt-10 -118.44 156.68 28.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.059 -0.518 . . . . 1.41 110.198 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -63.5 108.99 1.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.94 -0.573 . . . . 1.86 110.649 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -102.14 -49.06 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 1.46 109.68 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -157.58 158.0 34.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.482 -0.326 . . . . 1.01 110.404 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -140.43 152.09 45.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.9 -0.778 . . . . 1.72 108.9 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -139.93 139.16 36.09 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.12 0.486 . . . . 1.44 110.876 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t30 58.72 49.6 9.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.602 -1.181 . . . . 0.84 111.559 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -75.39 -57.99 3.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.128 -0.487 . . . . 1.39 112.184 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.477 ' HA ' HG22 ' A' ' 18' ' ' VAL . 8.4 m-20 -56.84 -41.89 78.68 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.216 0.45 . . . . 1.3 112.216 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -38.91 88.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.403 0.62 . . . . 1.46 110.73 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HB2' ' HB2' ' A' ' 119' ' ' TYR . 80.7 t80 -67.56 -52.78 34.66 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.336 -0.847 . . . . 1.24 110.839 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.4 m -64.34 -38.02 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.807 -0.633 . . . . 0.26 111.804 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -69.95 -28.91 65.96 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.043 -0.263 . . . . 1.18 111.049 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -75.53 -46.13 33.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.42 -0.354 . . . . 0.88 111.343 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 pt -73.02 -14.24 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.741 0.305 . . . . 0.39 111.715 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.49 33.93 26.88 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.091 -0.576 . . . . 0.39 112.308 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.62 HD23 HG12 ' A' ' 28' ' ' ILE . 21.0 tp -69.67 135.8 88.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.659 -0.497 . . . . 0.31 109.659 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.593 ' HD2' HD12 ' A' ' 23' ' ' LEU . 26.5 Cg_endo -64.62 139.11 62.21 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.125 1.883 . . . . 0.37 111.386 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.72 -37.76 59.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.076 0.465 . . . . 0.39 111.165 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.74 -38.52 69.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.25 -0.886 . . . . 2.03 111.728 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -90.17 -31.35 17.09 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 121.139 -0.224 . . . . 0.94 110.72 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.62 HG12 HD23 ' A' ' 23' ' ' LEU . 62.4 mt -57.68 -61.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.086 -0.506 . . . . 0.37 110.657 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -67.14 -24.44 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.518 -0.765 . . . . 1.73 111.339 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 tpt -74.94 -34.8 62.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.169 -0.468 . . . . 0.97 110.409 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.61 23.69 25.7 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.5 -0.857 . . . . 0.51 113.943 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -109.26 138.51 45.52 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 117.381 0.59 . . . . 2.27 110.833 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.22 25.09 10.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.676 -0.693 . . . . 1.78 111.033 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.2 m -98.49 154.52 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.927 -0.578 . . . . 1.16 110.224 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.06 88.51 7.72 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.497 0.554 . . . . 2.49 112.497 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 mp -94.46 123.49 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.245 -0.65 . . . . 0.66 109.245 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 t -92.65 140.94 15.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.622 -0.263 . . . . 0.37 110.361 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.3 m -116.9 106.79 13.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.121 -0.491 . . . . 0.33 110.023 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.455 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 9.6 mt-10 -95.54 110.58 22.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.87 0.367 . . . . 1.39 110.555 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 48' ' ' THR . 46.5 t -110.93 124.27 67.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 0.22 111.995 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG12 ' OG1' ' A' ' 48' ' ' THR . 6.8 p -117.27 136.19 55.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.199 -1.037 . . . . 0.95 108.199 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -103.28 121.17 42.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.268 0.556 . . . . 2.06 112.408 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -126.83 79.44 1.87 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.386 -0.968 . . . . 1.73 108.386 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.86 -94.52 0.98 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.84 -0.904 . . . . 0.4 110.84 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.2 6.6 9.13 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.646 -0.501 . . . . 0.43 109.646 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 34.2 t70 -96.92 109.69 22.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.401 -0.818 . . . . 1.36 109.741 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -108.23 142.38 38.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.126 -0.694 . . . . 1.0 109.126 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.481 ' OG1' HG12 ' A' ' 41' ' ' VAL . 82.4 p -112.32 136.0 52.3 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.395 -0.522 . . . . 0.56 111.915 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -110.77 99.6 8.5 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.634 -0.876 . . . . 0.42 108.634 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.652 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.8 m -105.75 118.17 35.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.053 -0.522 . . . . 0.35 110.202 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -105.1 117.78 34.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.996 -0.372 . . . . 1.62 109.996 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -105.95 119.63 39.69 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.963 -0.562 . . . . 0.37 110.038 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 9.0 t80 -97.01 137.41 21.28 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.454 -0.794 . . . . 1.23 110.947 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 30.9 Cg_endo -65.61 113.85 2.67 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.448 2.099 . . . . 0.46 111.799 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.18 35.6 65.48 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.072 -0.585 . . . . 0.46 113.648 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.73 -164.38 11.0 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.395 -0.907 . . . . 0.41 112.841 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.52 145.96 48.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.648 0.261 . . . . 3.34 110.565 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -107.85 161.52 14.84 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.322 -0.399 . . . . 0.39 110.345 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.25 141.36 33.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.535 -0.302 . . . . 0.49 110.425 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.5 m -142.48 119.62 11.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.639 0.257 . . . . 0.31 110.97 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -126.26 122.01 34.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.347 0.594 . . . . 1.72 111.232 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.5 p -103.14 131.94 49.78 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.579 -0.737 . . . . 1.04 109.302 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -140.48 141.57 35.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.491 0.662 . . . . 0.88 111.969 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.485 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 55.3 m -107.11 126.62 52.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.628 -0.714 . . . . 0.25 109.279 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.423 HG21 ' HB2' ' A' ' 85' ' ' MET . 44.1 mm -55.15 126.8 13.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 120.674 0.273 . . . . 0.24 110.977 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.9 t70 75.83 22.06 1.54 Allowed 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.144 0.978 . . . . 1.1 110.395 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 31.0 tptt -137.12 147.28 45.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.422 -0.808 . . . . 1.59 110.259 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.5 mp0 -74.41 135.74 42.39 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.311 -0.625 . . . . 2.55 109.311 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -127.09 159.88 32.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.784 0.326 . . . . 0.31 111.508 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -101.08 121.66 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.433 -0.951 . . . . 1.95 108.433 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.471 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 2.7 mtt -126.3 161.49 27.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.708 0.766 . . . . 0.26 112.387 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.701 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 7.6 tt0 -142.07 141.96 32.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.277 -1.329 . . . . 1.47 107.73 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.546 HG23 ' HE1' ' A' ' 79' ' ' PHE . 51.8 p -86.73 -172.71 4.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.977 0.418 . . . . 0.36 110.814 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.8 mtp -89.06 -6.7 56.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.99 -0.55 . . . . 1.05 109.684 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.34 -32.48 7.75 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.308 -0.717 . . . . 0.48 111.308 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.73 31.64 0.75 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.48 113.629 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.701 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 6.3 mtp180 -97.29 122.86 40.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.732 0.266 . . . . 0.85 110.61 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -100.43 122.2 42.79 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.262 -1.014 . . . . 1.76 108.262 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.546 ' HE1' HG23 ' A' ' 73' ' ' THR . 43.3 p90 -156.71 176.87 12.16 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.758 -0.377 . . . . 1.17 111.659 -177.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.13 146.16 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.625 -0.509 . . . . 2.55 109.625 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.43 161.43 40.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.688 -0.233 . . . . 0.24 111.04 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -103.58 131.91 50.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.968 -0.382 . . . . 0.33 109.968 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.7 t -114.68 144.35 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.416 -0.357 . . . . 0.19 110.306 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -134.52 -179.49 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.625 -0.509 . . . . 1.14 109.625 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.423 ' HB2' HG21 ' A' ' 65' ' ' ILE . 1.8 mtt -131.27 134.15 46.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.486 0.184 . . . . 0.41 110.836 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -128.4 110.36 12.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 2.67 110.512 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.6 31.87 79.36 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 116.031 -0.531 . . . . 0.46 113.108 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.76 20.77 59.11 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 120.329 -0.939 . . . . 0.36 112.401 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -122.34 128.81 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.359 -0.608 . . . . 1.76 109.359 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' A' ' 100' ' ' THR . 1.7 mt -80.94 118.24 28.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.869 -0.332 . . . . 0.22 110.696 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.5 p -123.26 130.77 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.568 . . . . 0.25 110.859 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -111.22 140.34 45.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.821 -0.627 . . . . 0.25 110.831 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -90.5 121.63 32.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.001 0.429 . . . . 1.19 111.68 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.495 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 71.0 m-85 -145.4 152.45 49.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.625 -0.716 . . . . 1.27 110.615 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.23 114.26 3.94 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.432 2.088 . . . . 0.36 111.275 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.671 ' O ' ' HA ' ' A' ' 114' ' ' SER . 2.5 m-20 64.13 19.06 11.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.921 -0.581 . . . . 1.5 111.128 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.67 ' HA ' ' O ' ' A' ' 113' ' ' THR . 5.5 t80 -139.52 123.36 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.225 -0.657 . . . . 1.31 109.225 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -121.13 103.34 8.93 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.403 -0.817 . . . . 1.09 108.969 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -100.98 122.86 44.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.255 -0.43 . . . . 0.67 110.997 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 40.5 p -137.58 148.42 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.31 110.981 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -136.69 136.27 38.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.313 -0.403 . . . . 0.26 110.098 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -149.73 172.37 15.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 1.38 111.004 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 mm -113.49 124.17 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.496 -0.775 . . . . 0.37 110.39 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.9 t -95.28 -120.06 0.1 Allowed 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.803 -0.814 . . . . 1.37 108.803 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -80.2 61.84 4.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.469 -0.872 . . . . 0.96 111.003 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 21.59 77.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.03 -0.605 . . . . 0.5 111.806 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -130.91 146.61 52.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.032 0.444 . . . . 1.22 111.025 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.4 tm? -89.16 120.57 30.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.373 -0.831 . . . . 0.82 109.571 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 p -118.61 113.36 41.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 108.649 -0.871 . . . . 0.33 108.649 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.643 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 24.8 tt0 -96.57 137.22 35.98 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.006 -0.997 . . . . 1.69 110.304 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.89 125.03 69.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.951 -0.568 . . . . 0.37 110.77 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.1 m -124.48 114.3 19.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.847 -0.615 . . . . 0.37 109.91 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.703 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -103.01 133.38 48.24 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.291 -0.413 . . . . 0.27 110.335 179.462 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.671 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 0.2 OUTLIER -141.78 111.92 6.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.105 0.479 . . . . 1.43 110.463 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m 56.68 30.65 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.066 -0.97 . . . . 0.63 111.397 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.32 -35.34 5.11 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.506 -0.854 . . . . 0.46 113.159 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.91 126.04 29.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 117.1 0.45 . . . . 0.53 110.973 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.703 HG22 HG23 ' A' ' 113' ' ' THR . 21.8 t -103.32 117.17 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.982 -0.554 . . . . 0.97 111.142 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 20.1 t80 -104.4 125.25 50.44 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.127 -0.694 . . . . 1.22 109.127 178.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -123.78 147.29 47.67 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.078 0.466 . . . . 1.17 110.77 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.643 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -145.19 130.79 18.88 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.812 -0.631 . . . . 2.48 110.959 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.2 m -99.66 126.95 45.76 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.999 -0.546 . . . . 0.43 109.576 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 1.5 m -124.76 126.52 45.78 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.708 -0.397 . . . . 0.38 110.779 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 7.9 pttt -73.94 157.39 36.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.917 -0.583 . . . . 1.45 109.495 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -100.84 126.51 47.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.12 0.486 . . . . 1.45 111.032 -178.677 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.433 HD11 ' HB2' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -141.7 167.95 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.841 -0.618 . . . . 0.35 109.406 179.437 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.342 -0.837 . . . . 1.27 110.199 178.488 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--O 1.228 -0.059 0 N-CA-C 111.984 0.364 . . . . 1.24 111.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.4 m -55.2 142.8 29.85 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.283 0.563 . . . . 0.26 112.305 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.98 174.91 15.07 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.493 -0.86 . . . . 0.21 111.996 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -99.13 143.3 29.56 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.918 -0.771 . . . . 1.54 108.918 178.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CE2' ' HB2' ' A' ' 108' ' ' LEU . 63.1 m-85 -125.75 142.64 51.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.635 -0.257 . . . . 1.29 110.586 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -119.51 141.83 48.85 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.45 -0.204 . . . . 1.41 110.45 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 3.7 t80 -48.97 118.02 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.941 0.775 . . . . 1.86 111.431 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -110.44 -50.34 2.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.054 -0.521 . . . . 1.46 111.1 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.9 m -151.03 167.77 26.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.319 . . . . 1.01 111.506 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 1.8 p30 -151.96 159.02 43.89 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.811 -0.631 . . . . 1.72 109.779 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -144.43 138.49 27.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.908 -0.587 . . . . 1.44 110.295 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 60.17 34.77 21.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.936 -1.029 . . . . 0.84 112.266 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.421 ' O ' HG22 ' A' ' 18' ' ' VAL . 51.1 t80 -60.11 -61.5 2.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.44 . . . . 1.39 111.08 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.99 -42.29 79.98 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.078 -0.51 . . . . 1.3 111.742 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -47.73 83.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.098 0.475 . . . . 1.46 110.645 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CG ' ' HB2' ' A' ' 119' ' ' TYR . 64.4 t80 -62.65 -53.23 57.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.564 -0.744 . . . . 1.24 111.43 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 14' ' ' TYR . 32.2 m -59.78 -39.6 80.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 0.26 111.637 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -72.55 -24.31 61.11 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.832 0.349 . . . . 1.18 110.898 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -81.7 -45.75 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.445 . . . . 0.88 111.602 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.61 -17.56 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 111.782 0.29 . . . . 0.39 111.782 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.92 28.49 11.97 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.183 -1.008 . . . . 0.39 112.971 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.568 HD23 HG12 ' A' ' 28' ' ' ILE . 15.0 tp -69.83 132.46 88.79 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.694 -0.484 . . . . 0.31 109.694 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.45 ' O ' HG13 ' A' ' 28' ' ' ILE . 30.6 Cg_endo -66.76 140.26 55.31 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.108 1.872 . . . . 0.37 111.767 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.1 -32.99 56.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.234 -0.439 . . . . 0.39 111.647 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -41.32 85.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.639 -0.709 . . . . 2.03 110.481 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -88.72 -31.22 18.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.671 -0.695 . . . . 0.94 110.892 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.568 HG12 HD23 ' A' ' 23' ' ' LEU . 57.3 mt -56.81 -56.65 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.37 111.218 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 4.1 mm-40 -71.15 -20.3 62.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.948 -0.569 . . . . 1.73 110.979 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.452 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 8.8 tpt -77.49 -37.43 51.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.712 -0.676 . . . . 0.97 110.632 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.42 27.87 17.41 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.837 -0.697 . . . . 0.51 113.884 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.427 ' HD2' ' HA ' ' A' ' 29' ' ' GLU . 11.3 ptm180 -111.98 136.91 50.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.462 0.631 . . . . 2.27 110.507 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.25 21.19 10.61 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.674 -0.694 . . . . 1.78 110.738 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.5 m -92.04 137.15 32.6 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.798 -0.637 . . . . 1.16 110.358 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 81.26 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.651 . . . . 2.49 111.937 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.7 mm -77.53 128.06 38.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.924 -0.58 . . . . 0.66 110.031 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.467 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 5.2 t -101.82 120.72 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.018 -0.364 . . . . 0.37 110.018 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.682 ' HA ' ' O ' ' A' ' 50' ' ' THR . 25.9 m -103.37 105.42 15.68 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.055 -0.521 . . . . 0.33 110.076 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -97.98 117.79 33.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.822 0.344 . . . . 1.39 110.644 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.3 t -111.61 124.16 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.472 -0.786 . . . . 0.22 112.023 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.4 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 58.7 t -110.72 121.27 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 0.95 109.279 178.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.548 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 0.2 OUTLIER -84.01 119.09 24.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.948 0.404 . . . . 2.06 111.334 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -139.71 76.43 1.56 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.976 -0.557 . . . . 1.73 109.885 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.59 -95.5 0.79 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.759 -0.655 . . . . 0.4 111.776 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.71 2.42 8.2 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.071 0.462 . . . . 0.43 110.131 178.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 27.0 t70 -99.66 110.04 22.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 1.36 109.745 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.04 130.95 55.49 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.509 -0.552 . . . . 1.0 109.509 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -94.95 122.36 37.52 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 116.051 -0.522 . . . . 0.56 111.276 -179.367 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -101.71 100.87 11.29 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.751 -0.833 . . . . 0.42 108.751 178.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.682 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.9 m -101.29 127.1 48.05 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.85 -0.614 . . . . 0.35 110.405 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -114.31 116.24 28.65 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.594 -0.521 . . . . 1.62 109.594 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.467 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 84.3 m-70 -103.1 121.63 43.02 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.904 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.452 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 6.1 t80 -99.04 126.09 39.46 Favored Pre-proline 0 N--CA 1.441 -0.918 0 CA-C-N 115.499 -0.773 . . . . 1.23 109.298 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.94 112.23 1.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.092 1.861 . . . . 0.46 112.132 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.41 29.98 76.52 Favored Glycine 0 CA--C 1.522 0.473 0 CA-C-N 116.137 -0.483 . . . . 0.46 113.044 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.45 -166.02 12.24 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.013 -1.089 . . . . 0.41 113.701 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.87 147.66 51.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 3.34 111.312 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -105.78 156.86 17.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.178 -0.465 . . . . 0.39 110.342 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.66 113.65 11.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.485 -0.561 . . . . 0.49 109.485 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -125.4 115.85 20.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.944 0.402 . . . . 0.31 111.688 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -121.2 135.8 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.342 0.591 . . . . 1.72 110.019 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.6 p -111.67 128.02 55.94 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.298 -0.865 . . . . 1.04 109.252 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -136.67 139.55 42.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.199 0.523 . . . . 0.88 112.253 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 46' ' ' ASP . 18.4 m -107.05 131.75 53.74 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.911 -0.774 . . . . 0.25 108.911 178.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.7 mm -53.86 128.8 14.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 120.879 0.371 . . . . 0.24 111.313 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 70.21 27.62 4.12 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.361 -0.836 . . . . 1.1 109.943 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 64' ' ' THR . 11.8 tppt? -136.92 147.99 46.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.465 -0.789 . . . . 1.59 110.743 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -75.06 124.99 27.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.556 -0.905 . . . . 2.55 108.556 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -117.51 150.77 38.39 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.7 0.629 . . . . 0.31 112.7 -178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -83.45 121.2 26.87 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 107.695 -1.224 . . . . 1.95 107.695 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.565 ' SD ' ' HB3' ' A' ' 81' ' ' ALA . 41.7 mtt -125.55 164.41 20.58 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.934 0.716 . . . . 0.26 112.934 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.623 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 12.0 tt0 -159.93 138.86 10.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.701 -1.136 . . . . 1.47 109.038 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.629 HG23 ' HE1' ' A' ' 79' ' ' PHE . 29.8 p -87.45 173.39 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.937 0.398 . . . . 0.36 110.104 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.2 ttm -78.76 -7.87 58.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.522 -0.548 . . . . 1.05 109.522 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.09 -19.09 54.45 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.722 -0.672 . . . . 0.48 111.691 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.29 22.46 6.15 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.914 -0.66 . . . . 0.48 113.366 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.623 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.1 mtp85 -94.08 120.77 34.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.517 0.658 . . . . 0.85 110.413 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.78 129.91 45.94 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.119 -0.697 . . . . 1.76 109.119 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.629 ' HE1' HG23 ' A' ' 73' ' ' THR . 36.9 p90 -160.64 176.53 11.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.798 0.332 . . . . 1.17 110.456 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 79' ' ' PHE . 7.6 mmtt -131.67 141.33 49.56 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.744 -0.835 . . . . 2.55 108.744 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.565 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -151.06 162.45 40.84 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.552 0.215 . . . . 0.24 110.686 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 138.06 39.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.281 -0.418 . . . . 0.33 110.423 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 t -117.39 145.5 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.302 -0.408 . . . . 0.19 110.222 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.505 ' CG ' HG13 ' A' ' 91' ' ' VAL . 5.1 pttt -135.04 179.43 6.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.992 -0.373 . . . . 1.14 109.992 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 ttt -137.5 117.11 12.98 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.096 -0.242 . . . . 0.41 110.871 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -121.69 112.61 18.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.801 -0.181 . . . . 2.67 110.864 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.43 90.22 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 121.096 -0.574 . . . . 0.46 112.85 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.97 26.79 65.87 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.714 -0.755 . . . . 0.36 112.37 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -127.78 127.93 44.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.802 -0.444 . . . . 1.76 109.802 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mt -82.28 109.31 16.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.959 -0.385 . . . . 0.22 109.959 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.505 HG13 ' CG ' ' A' ' 84' ' ' LYS . 2.7 p -114.0 129.73 69.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.247 0.546 . . . . 0.25 110.791 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.76 142.53 36.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.827 -0.624 . . . . 0.25 110.11 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -96.66 121.49 38.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.132 0.492 . . . . 1.19 111.6 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.438 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 67.2 m-85 -144.16 157.52 56.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.348 -0.842 . . . . 1.27 111.356 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.86 120.44 3.83 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.66 2.24 . . . . 0.36 110.97 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.0 t30 62.94 21.26 12.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.56 0.695 . . . . 1.5 110.427 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.4 t80 -146.08 128.81 16.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.765 -0.652 . . . . 1.31 110.401 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.431 ' O ' ' HA ' ' A' ' 112' ' ' SER . 27.3 t60 -126.57 104.07 7.92 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.824 -0.625 . . . . 1.09 109.326 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -109.45 118.08 35.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.682 0.277 . . . . 0.67 111.146 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.4 HG22 ' HB ' ' A' ' 91' ' ' VAL . 23.4 p -128.17 133.18 48.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.31 110.514 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.79 133.78 55.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.26 110.347 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -155.64 171.22 20.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.868 0.366 . . . . 1.38 110.892 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 15.1 mm -102.89 118.89 50.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.804 -0.634 . . . . 0.37 110.41 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.8 t -123.83 110.17 14.54 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.979 -0.378 . . . . 1.37 109.979 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.26 30.77 73.74 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.04 -0.6 . . . . 0.96 112.201 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.48 13.27 82.82 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.02 -0.609 . . . . 0.5 112.295 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -123.94 153.58 40.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 1.22 110.634 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.645 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 2.1 tm? -93.68 119.49 32.75 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.164 -0.68 . . . . 0.82 109.164 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.9 p -124.36 116.44 47.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.138 0.494 . . . . 0.33 109.747 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.472 ' HG3' ' CD1' ' A' ' 108' ' ' LEU . 28.7 mt-10 -102.39 134.47 45.65 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.946 -0.57 . . . . 1.69 110.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.95 121.71 67.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.732 -0.667 . . . . 0.37 109.276 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.5 m -122.16 104.66 9.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.3 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.85 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -92.22 137.59 32.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.03 -0.532 . . . . 0.27 110.959 179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 t -154.65 117.59 4.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.651 0.262 . . . . 1.43 110.377 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 m 57.85 32.24 21.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.72 -0.673 . . . . 0.63 111.997 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.67 -22.3 39.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.424 -0.893 . . . . 0.46 113.542 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.4 t -84.25 121.89 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 117.24 0.52 . . . . 0.53 110.412 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.85 HG22 HG23 ' A' ' 113' ' ' THR . 48.8 t -97.81 110.66 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.896 -0.593 . . . . 0.97 111.55 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.463 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 60.9 t80 -97.01 133.25 41.92 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.287 -0.635 . . . . 1.22 109.287 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -131.59 138.91 49.03 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.809 0.337 . . . . 1.17 111.031 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 128.97 31.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 2.48 110.132 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 16.4 m -109.52 132.6 53.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.082 -0.508 . . . . 0.43 110.35 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -129.08 140.64 51.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.083 -0.508 . . . . 0.38 109.953 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 23.8 pttt -90.3 156.43 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.001 -0.37 . . . . 1.45 110.001 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.13 134.15 36.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.423 0.63 . . . . 1.45 111.449 -177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.463 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -142.22 166.01 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 114.855 -1.066 . . . . 0.35 109.082 178.533 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.353 -0.832 . . . . 1.27 109.443 178.908 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.412 0.149 . . . . 1.24 111.346 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.4 m -64.36 138.06 58.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.956 0.408 . . . . 0.26 110.556 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.514 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 137.55 168.11 11.25 Favored Glycine 0 N--CA 1.435 -1.4 0 C-N-CA 120.201 -1.0 . . . . 0.21 112.34 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 145.03 27.03 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.06 -1.089 . . . . 1.54 108.06 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 91.7 m-85 -126.39 141.78 51.77 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.586 0.232 . . . . 1.29 110.984 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 74.9 mt-10 -121.77 150.53 41.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.879 -0.6 . . . . 1.41 109.465 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -54.85 131.68 44.72 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.53 0.519 . . . . 1.86 111.26 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' A' ' 122' ' ' THR . 0.7 OUTLIER -126.72 -57.39 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.548 -0.751 . . . . 1.46 110.557 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -153.7 163.83 39.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.172 -0.467 . . . . 1.01 110.963 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 1.2 p30 -152.45 155.03 36.71 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.451 -0.574 . . . . 1.72 109.451 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -140.55 138.53 34.58 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.218 -0.446 . . . . 1.44 110.051 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 t30 61.75 49.28 4.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.942 -1.026 . . . . 0.84 111.431 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.422 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 7.3 t80 -77.18 -56.03 4.92 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.33 -0.395 . . . . 1.39 111.709 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.415 ' CG ' HH22 ' A' ' 32' ' ' ARG . 3.4 m-20 -58.34 -42.94 87.97 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.147 0.425 . . . . 1.3 112.147 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -39.41 94.13 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.996 0.427 . . . . 1.46 110.933 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.414 ' HB2' ' HB2' ' A' ' 119' ' ' TYR . 89.3 t80 -64.97 -53.99 37.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.511 -0.768 . . . . 1.24 111.278 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.7 m -62.69 -35.63 71.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.26 111.919 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.84 -24.76 63.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.379 . . . . 1.18 110.327 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 117' ' ' VAL . 0.9 OUTLIER -78.8 -54.3 6.22 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.735 -0.666 . . . . 0.88 111.609 -179.35 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 pt -69.32 -6.38 6.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.39 -0.823 . . . . 0.39 111.178 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.1 39.82 62.53 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.488 -0.863 . . . . 0.39 112.988 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.57 HD12 ' HD2' ' A' ' 24' ' ' PRO . 17.9 tp -72.47 132.77 83.45 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 109.637 -0.505 . . . . 0.31 109.637 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' HD12 ' A' ' 23' ' ' LEU . 32.5 Cg_endo -65.53 142.24 70.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.064 1.843 . . . . 0.37 111.71 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.28 -34.91 59.26 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.06 0.457 . . . . 0.39 111.292 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -39.96 80.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.283 -0.872 . . . . 2.03 110.821 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -88.85 -32.15 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.94 110.864 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.529 HG12 HD23 ' A' ' 23' ' ' LEU . 55.8 mt -57.59 -58.94 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.37 111.166 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -66.38 -30.6 71.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.918 -0.583 . . . . 1.73 110.798 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 tpt -68.14 -40.67 82.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.296 -0.866 . . . . 0.97 111.133 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.78 27.94 18.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.02 -0.609 . . . . 0.51 113.911 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.415 HH22 ' CG ' ' A' ' 15' ' ' ASP . 9.6 ptm180 -125.35 144.33 50.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.441 -0.577 . . . . 2.27 109.441 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.95 14.02 9.02 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.624 0.578 . . . . 1.78 110.736 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -97.18 156.94 16.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.058 -0.519 . . . . 1.16 111.248 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HG2' ' H ' ' A' ' 35' ' ' LYS . 24.9 pttt -88.12 88.08 7.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.418 0.628 . . . . 2.49 111.006 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.8 mm -87.98 122.91 40.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.81 -0.632 . . . . 0.66 110.189 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 25.4 t -102.87 125.8 57.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.314 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.624 ' HA ' ' O ' ' A' ' 50' ' ' THR . 98.6 m -111.07 109.64 19.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.092 -0.504 . . . . 0.33 109.764 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -100.23 117.77 35.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.869 0.366 . . . . 1.39 110.248 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 48' ' ' THR . 67.7 t -112.35 134.64 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.713 -0.676 . . . . 0.22 111.3 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.5 t -119.68 134.16 64.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.939 -0.573 . . . . 0.95 110.316 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.492 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 6.0 tp-100 -81.82 130.22 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 2.06 110.105 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -151.64 74.91 1.14 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.82 -0.437 . . . . 1.73 109.82 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.12 -92.06 0.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.878 -0.677 . . . . 0.4 111.413 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.88 10.47 3.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.193 0.52 . . . . 0.43 109.936 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -107.25 108.4 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.355 -0.838 . . . . 1.36 109.299 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -100.02 134.62 42.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.997 0.427 . . . . 1.0 110.768 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.574 HG22 ' OG ' ' A' ' 62' ' ' SER . 32.7 p -94.86 123.9 38.6 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.844 -0.616 . . . . 0.56 110.332 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -108.41 102.15 11.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.359 -0.608 . . . . 0.42 109.359 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.4 m -105.3 118.82 37.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.369 -0.378 . . . . 0.35 111.285 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -105.7 119.17 38.46 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 110.078 -0.341 . . . . 1.62 110.078 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.47 129.55 49.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.085 0.469 . . . . 0.37 110.547 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.49 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.2 t80 -111.42 120.04 43.73 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.387 -0.824 . . . . 1.23 110.148 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.49 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 33.5 Cg_endo -63.8 113.94 2.37 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.455 2.104 . . . . 0.46 111.518 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.49 31.9 82.4 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.708 -0.678 . . . . 0.46 112.378 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.422 ' HA3' ' CD2' ' A' ' 53' ' ' PHE . . . -147.31 -164.68 11.32 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.367 -0.921 . . . . 0.41 113.026 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.8 145.92 34.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 3.34 111.404 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 t -103.68 160.29 14.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.033 0.444 . . . . 0.39 110.946 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.23 131.97 21.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.012 -0.54 . . . . 0.49 110.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -137.07 117.88 14.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.698 0.285 . . . . 0.31 110.617 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -129.19 126.56 39.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.084 0.469 . . . . 1.72 110.469 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.574 ' OG ' HG22 ' A' ' 48' ' ' THR . 48.7 m -110.21 132.96 53.71 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.087 -0.709 . . . . 1.04 109.087 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -133.11 145.41 50.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.095 0.474 . . . . 0.88 112.029 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.476 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 65.1 m -107.4 128.4 54.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.678 -0.692 . . . . 0.25 109.564 178.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.401 HG23 ' HA ' ' A' ' 84' ' ' LYS . 45.3 mm -55.46 127.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.24 110.878 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.4 t70 74.85 21.75 2.02 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.197 0.999 . . . . 1.1 110.636 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HE2' ' O ' ' A' ' 68' ' ' GLU . 17.0 tptm -136.81 140.9 42.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.787 -0.642 . . . . 1.59 110.175 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 67' ' ' LYS . 28.5 tt0 -75.99 122.69 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.533 -0.543 . . . . 2.55 109.533 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -111.88 158.79 19.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.27 -0.423 . . . . 0.31 111.208 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.24 119.17 31.09 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.12 -1.067 . . . . 1.95 108.12 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.626 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 7.4 mtt -122.26 162.88 20.62 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.638 0.732 . . . . 0.26 112.258 -178.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 17.9 tt0 -149.85 142.39 24.43 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.654 -1.157 . . . . 1.47 108.254 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.681 HG23 ' HE1' ' A' ' 79' ' ' PHE . 26.4 p -97.84 175.38 6.18 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.666 -0.494 . . . . 0.36 109.666 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.6 mtt -74.21 -12.52 60.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.41 -0.589 . . . . 1.05 109.41 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.25 -10.33 83.83 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 111.179 -0.769 . . . . 0.48 111.179 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.57 20.97 30.31 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.296 -0.478 . . . . 0.48 112.845 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 8.5 mtp180 -82.13 124.28 29.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.815 0.308 . . . . 0.85 111.059 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -98.81 122.2 41.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.281 -0.637 . . . . 1.76 109.281 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.681 ' HE1' HG23 ' A' ' 73' ' ' THR . 48.0 p90 -160.74 175.0 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.468 0.544 . . . . 1.17 112.468 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.87 147.08 48.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.579 -0.737 . . . . 2.55 109.36 178.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.8 159.5 41.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.951 0.405 . . . . 0.24 111.736 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.93 124.06 43.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 0.33 109.78 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.3 t -110.01 138.15 39.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.628 -0.26 . . . . 0.19 110.493 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG3' HG13 ' A' ' 91' ' ' VAL . 16.0 pttt -127.74 -179.16 4.79 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.826 -0.435 . . . . 1.14 109.826 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.9 mtt -130.86 131.38 44.53 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 121.144 -0.222 . . . . 0.41 110.53 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.55 91.85 3.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.961 0.41 . . . . 2.67 111.199 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.67 53.29 44.77 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 115.978 -0.555 . . . . 0.46 113.408 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.68 18.47 79.69 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.837 -0.697 . . . . 0.36 113.169 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -127.08 116.09 20.16 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.117 -0.697 . . . . 1.76 109.117 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.6 mt -73.8 117.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 110.367 -0.234 . . . . 0.22 110.367 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.49 HG13 ' HG3' ' A' ' 84' ' ' LYS . 2.7 p -117.75 129.54 74.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.45 0.643 . . . . 0.25 111.346 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.0 137.53 51.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.659 -0.701 . . . . 0.25 109.822 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -103.7 123.56 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.026 0.441 . . . . 1.19 111.32 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.511 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 87.7 m-85 -137.47 156.53 74.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.604 -0.725 . . . . 1.27 110.084 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.01 113.21 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.169 1.913 . . . . 0.36 111.943 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 59.29 21.36 9.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.679 -0.691 . . . . 1.5 111.539 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.635 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.6 t80 -140.95 124.85 17.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.843 -0.617 . . . . 1.31 109.954 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.508 ' O ' ' HA ' ' A' ' 112' ' ' SER . 23.5 t60 -123.94 121.58 35.67 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.126 -0.488 . . . . 1.09 110.069 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.529 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 12.4 t60 -121.78 122.12 38.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.287 0.367 . . . . 0.67 111.035 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.9 p -128.85 132.0 47.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.162 -0.472 . . . . 0.31 110.453 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.84 137.56 51.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.226 -0.443 . . . . 0.26 110.367 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -157.35 175.82 13.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 1.38 111.104 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.8 mm -114.86 114.42 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.048 -0.524 . . . . 0.37 109.738 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.7 p -92.86 78.73 4.72 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.256 0.551 . . . . 1.37 110.434 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.5 -63.21 4.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.808 -0.71 . . . . 0.96 111.737 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -160.17 22.33 0.26 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.927 -0.654 . . . . 0.5 111.66 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -135.9 151.69 50.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.838 0.351 . . . . 1.22 110.558 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.0 tm? -91.64 122.34 34.12 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.105 -0.702 . . . . 0.82 109.105 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.6 p -127.48 121.22 56.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.333 0.587 . . . . 0.33 110.085 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -108.3 134.47 51.08 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.485 -0.779 . . . . 1.69 110.099 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 4.7 mp -113.52 126.28 70.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.827 -0.624 . . . . 0.37 109.678 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 2.0 m -126.8 108.37 10.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.126 -0.488 . . . . 0.37 110.446 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.665 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -93.94 133.71 37.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.915 -0.584 . . . . 0.27 110.022 179.191 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.8 p -131.21 96.71 4.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.985 0.422 . . . . 1.43 111.03 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.5 m 57.84 32.44 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.511 -0.768 . . . . 0.63 111.626 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.18 -44.07 1.47 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.662 -0.78 . . . . 0.46 113.585 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 70.4 t -69.17 124.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.028 0.442 . . . . 0.53 111.04 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.665 HG22 HG23 ' A' ' 113' ' ' THR . 46.0 t -100.1 110.78 27.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.699 -0.682 . . . . 0.97 111.31 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.414 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 41.6 t80 -98.6 134.85 40.97 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.866 -0.79 . . . . 1.22 108.866 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -133.98 140.34 46.67 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 120.623 0.249 . . . . 1.17 110.93 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 15.4 ptt-85 -137.5 136.98 38.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.105 0.479 . . . . 2.48 110.126 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.499 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 90.5 m -113.13 125.82 54.78 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.585 -0.734 . . . . 0.43 109.957 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.5 m -124.89 141.32 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.147 -0.478 . . . . 0.38 110.573 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.404 ' HE2' ' HB2' ' A' ' 7' ' ' GLU . 12.9 pttm -81.46 155.29 25.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.977 -0.556 . . . . 1.45 110.359 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.588 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -101.08 124.84 47.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.299 0.571 . . . . 1.45 110.422 -179.696 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -141.25 168.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.069 -1.086 . . . . 0.35 108.069 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.516 -0.754 . . . . 1.27 110.286 178.935 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 120.61 0.243 . . . . 1.24 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -63.62 145.95 54.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.077 -0.511 . . . . 0.26 112.045 -179.37 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.407 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 126.55 170.81 12.99 Favored Glycine 0 N--CA 1.438 -1.176 0 C-N-CA 120.54 -0.838 . . . . 0.21 112.406 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 6.9 ptmt -99.97 143.23 30.42 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.331 -0.989 . . . . 1.54 108.331 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.527 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 84.9 m-85 -125.77 146.67 49.67 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.633 0.254 . . . . 1.29 110.696 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -126.02 154.55 42.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.248 -0.433 . . . . 1.41 110.54 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -56.19 116.71 3.19 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 123.806 0.691 . . . . 1.86 111.083 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.9 tp10 -114.16 -55.26 2.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.138 -0.483 . . . . 1.46 110.541 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 m -146.82 156.83 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.56 -0.291 . . . . 1.01 111.01 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -145.21 155.02 43.01 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.753 -0.462 . . . . 1.72 109.753 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -148.1 139.91 23.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.192 -0.458 . . . . 1.44 110.172 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 60.63 48.08 7.66 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.601 -0.727 . . . . 0.84 111.373 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -76.4 -56.17 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.715 0.293 . . . . 1.39 111.008 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.414 ' HA ' HG22 ' A' ' 18' ' ' VAL . 11.5 m-20 -57.98 -46.12 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.966 -0.561 . . . . 1.3 111.22 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.16 -40.91 82.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.154 0.502 . . . . 1.46 110.557 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.417 ' O ' HG12 ' A' ' 21' ' ' ILE . 87.2 t80 -65.05 -55.59 18.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.258 -0.883 . . . . 1.24 110.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 15' ' ' ASP . 28.5 m -61.99 -34.91 65.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 0.26 111.85 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -72.89 -28.44 62.49 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.85 -0.34 . . . . 1.18 111.271 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -77.78 -39.36 44.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.581 -0.281 . . . . 0.88 111.184 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 17' ' ' PHE . 17.0 pt -80.97 -6.48 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.489 -0.323 . . . . 0.39 111.748 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.3 37.8 58.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.667 -0.778 . . . . 0.39 113.155 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.729 HD12 ' HD2' ' A' ' 24' ' ' PRO . 25.2 tp -73.51 136.3 78.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.117 -0.327 . . . . 0.31 110.117 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.729 ' HD2' HD12 ' A' ' 23' ' ' LEU . 33.6 Cg_endo -66.93 141.23 57.73 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.57 2.18 . . . . 0.37 111.74 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.08 -35.56 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.39 111.353 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -41.32 71.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 2.03 111.562 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -88.92 -33.84 17.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.991 -0.549 . . . . 0.94 110.717 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.562 HG12 HD23 ' A' ' 23' ' ' LEU . 59.4 mt -56.89 -53.3 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.16 0.505 . . . . 0.37 110.841 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -73.85 -18.41 60.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.775 -0.648 . . . . 1.73 111.356 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.411 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 11.2 tpt -82.29 -31.91 29.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.155 -0.475 . . . . 0.97 110.522 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.57 29.8 8.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.834 -0.698 . . . . 0.51 114.165 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -112.65 136.87 51.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.991 0.895 . . . . 2.27 110.751 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 62.51 15.45 7.87 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.503 -0.771 . . . . 1.78 111.176 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -87.36 152.22 22.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.124 -0.489 . . . . 1.16 110.5 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 92.06 8.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.102 0.477 . . . . 2.49 111.39 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' HIS . 3.5 mp -91.23 117.11 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.131 -0.692 . . . . 0.66 109.131 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -86.53 136.38 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.314 -0.403 . . . . 0.37 110.377 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 50' ' ' THR . 97.9 m -118.62 106.25 12.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.649 -0.25 . . . . 0.33 110.835 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -95.15 119.77 34.23 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.95 -0.389 . . . . 1.39 109.95 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 48' ' ' THR . 57.5 t -114.46 129.66 70.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 123.507 0.505 . . . . 0.22 111.72 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.477 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 47.9 t -114.4 128.54 71.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.627 -0.879 . . . . 0.95 108.627 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.577 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 9.3 tt0 -86.7 108.2 18.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.251 0.548 . . . . 2.06 111.072 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -120.81 73.55 1.02 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.501 -0.772 . . . . 1.73 109.328 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.18 -102.38 0.78 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 111.095 -0.802 . . . . 0.4 111.095 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.82 11.38 15.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.686 0.755 . . . . 0.43 109.237 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 27.7 t70 -109.12 111.06 22.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.64 -1.163 . . . . 1.36 109.368 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -108.23 129.13 55.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.239 0.542 . . . . 1.0 110.635 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.477 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -92.12 117.65 30.06 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.783 -0.644 . . . . 0.56 111.137 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -99.39 104.81 16.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.109 0.481 . . . . 0.42 109.748 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.72 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.6 m -106.88 119.23 38.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 0.35 110.789 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -109.73 118.48 36.65 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.24 0.338 . . . . 1.62 110.302 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 96.7 m-70 -107.2 132.16 53.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.022 0.439 . . . . 0.37 110.609 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 9.4 t80 -105.98 137.41 19.36 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.603 -0.726 . . . . 1.23 110.663 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.25 114.68 3.7 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.296 1.997 . . . . 0.46 111.84 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.42 30.57 76.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.974 -0.631 . . . . 0.46 112.707 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.38 -164.64 11.08 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.364 -0.922 . . . . 0.41 113.216 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.47 146.12 40.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.124 0.487 . . . . 3.34 111.699 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 t -100.74 159.43 15.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.127 -0.488 . . . . 0.39 110.406 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.55 136.7 39.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.823 -0.626 . . . . 0.49 109.494 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -147.17 117.99 7.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.92 0.39 . . . . 0.31 111.323 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.4 128.21 39.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.274 0.559 . . . . 1.72 110.624 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.457 ' HB3' HG22 ' A' ' 48' ' ' THR . 64.0 p -101.27 140.33 35.71 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.251 -0.886 . . . . 1.04 109.379 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -142.75 145.98 33.84 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.64 -0.424 . . . . 0.88 111.256 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 55.5 m -112.03 131.28 55.51 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.21 -0.663 . . . . 0.25 109.21 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.0 mm -55.26 128.5 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 120.744 0.307 . . . . 0.24 110.967 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 71.37 23.19 4.02 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.032 0.933 . . . . 1.1 110.317 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.8 tptt -136.87 144.39 43.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.418 -0.81 . . . . 1.59 110.059 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -78.17 139.45 38.97 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.547 -0.538 . . . . 2.55 109.547 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.53 150.03 51.92 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.537 0.569 . . . . 0.31 112.537 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.2 114.65 20.86 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.345 -0.843 . . . . 1.95 108.796 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.545 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.2 mtt -117.08 168.78 9.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.525 0.679 . . . . 0.26 112.38 -177.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.588 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 8.4 tt0 -156.57 141.92 17.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.839 -1.073 . . . . 1.47 108.592 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.741 HG23 ' HE1' ' A' ' 79' ' ' PHE . 30.8 p -100.87 174.21 6.14 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.802 -0.359 . . . . 0.36 110.204 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.8 mtt -72.81 -14.44 61.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.987 0.422 . . . . 1.05 110.387 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.59 -7.69 84.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.139 -0.553 . . . . 0.48 111.999 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.45 27.16 12.13 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.71 -0.757 . . . . 0.48 112.823 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.588 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 7.5 mtp85 -90.92 121.9 33.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.949 0.374 . . . . 0.85 110.23 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -100.4 121.74 42.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.812 -0.81 . . . . 1.76 108.812 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.741 ' HE1' HG23 ' A' ' 73' ' ' THR . 48.2 p90 -157.29 173.6 16.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.238 0.542 . . . . 1.17 112.269 -177.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 138.7 46.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.876 -0.787 . . . . 2.55 108.876 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.23 162.3 41.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.741 0.305 . . . . 0.24 111.187 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -102.48 140.43 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.291 -0.413 . . . . 0.33 110.096 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.76 145.27 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.129 -0.487 . . . . 0.19 110.169 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -136.79 174.41 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.93 -0.396 . . . . 1.14 109.93 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.4 ' HE2' HG12 ' A' ' 90' ' ' ILE . 1.7 mtt -129.5 133.44 47.27 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.119 -0.326 . . . . 0.41 110.119 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -135.72 103.18 5.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.993 0.425 . . . . 2.67 111.131 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.75 36.24 61.83 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.885 -0.598 . . . . 0.46 113.076 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.68 23.67 66.73 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.952 -0.642 . . . . 0.36 112.54 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -127.56 127.11 43.37 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.535 -0.543 . . . . 1.76 109.535 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' THR . 2.2 mt -82.57 114.31 23.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.926 -0.398 . . . . 0.22 109.926 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.5 p -117.55 131.94 68.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.424 0.631 . . . . 0.25 110.787 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 99' ' ' HIS . . . -107.56 144.17 34.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.553 -0.748 . . . . 0.25 110.244 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -97.3 121.56 39.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.444 -0.343 . . . . 1.19 110.87 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.541 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 70.5 m-85 -147.78 153.61 42.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.52 -0.764 . . . . 1.27 110.518 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.43 114.22 3.74 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.272 1.981 . . . . 0.36 110.92 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 65.08 10.59 6.46 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.249 0.62 . . . . 1.5 111.768 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.591 ' HA ' ' O ' ' A' ' 113' ' ' THR . 5.8 t80 -127.78 128.51 45.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.228 -0.656 . . . . 1.31 109.228 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.736 ' O ' ' HA ' ' A' ' 112' ' ' SER . 75.4 t60 -125.8 100.85 6.59 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.257 -0.883 . . . . 1.09 109.498 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 6.0 t60 -99.23 120.98 40.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.67 110.717 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 20.3 p -134.76 128.79 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.997 0.427 . . . . 0.31 111.542 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.34 130.92 54.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.727 -0.67 . . . . 0.26 110.879 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -150.18 172.36 15.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 1.38 110.808 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 44.5 mm -111.03 119.08 58.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.026 -0.731 . . . . 0.37 109.026 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.8 m -131.2 107.25 8.87 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 110.185 -0.302 . . . . 1.37 110.185 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.37 28.29 55.92 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.457 -0.657 . . . . 0.96 111.457 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.31 27.09 66.59 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.229 -0.51 . . . . 0.5 111.94 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -138.44 144.3 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.75 0.31 . . . . 1.22 111.257 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 3.1 tm? -82.69 113.8 20.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.962 -0.755 . . . . 0.82 108.962 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.18 108.34 23.62 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 109.004 -0.739 . . . . 0.33 109.004 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -96.61 137.2 36.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.608 -0.724 . . . . 1.69 110.131 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.42 119.98 56.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.517 -0.765 . . . . 0.37 109.07 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.736 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 0.0 OUTLIER -128.42 116.72 20.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.798 -0.637 . . . . 0.37 110.886 -177.675 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.591 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -89.05 139.97 29.92 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.654 -0.703 . . . . 0.27 110.884 179.475 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.4 p -130.96 96.09 3.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.78 -0.646 . . . . 1.43 110.242 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.0 m 54.02 30.88 12.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.711 -0.677 . . . . 0.63 111.667 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 116.28 -28.76 7.39 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.431 -0.89 . . . . 0.46 113.125 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -80.55 124.58 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.084 0.442 . . . . 0.53 110.481 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.557 HG22 HG23 ' A' ' 113' ' ' THR . 52.0 t -98.42 110.46 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.975 0.417 . . . . 0.97 111.616 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -98.08 130.98 44.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.532 -0.758 . . . . 1.22 109.762 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -126.89 144.65 50.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.888 0.375 . . . . 1.17 111.39 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -144.92 121.79 11.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.233 -0.44 . . . . 2.48 111.078 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.449 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 20.9 m -98.75 129.25 45.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.927 -0.579 . . . . 0.43 110.002 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 m -124.59 139.47 53.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.475 -0.329 . . . . 0.38 110.703 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 17.7 pttm -82.8 150.25 26.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.287 -0.415 . . . . 1.45 110.04 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.531 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -96.57 123.65 40.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.136 0.493 . . . . 1.45 110.53 -179.643 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -139.24 168.99 17.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.78 -0.646 . . . . 0.35 109.504 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 119.125 -0.464 . . . . 1.27 110.114 178.808 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.544 0.212 . . . . 1.24 111.464 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.456 HG23 ' HA ' ' A' ' 41' ' ' VAL . 0.6 OUTLIER -68.08 139.09 56.21 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.74 0.305 . . . . 0.26 111.259 -179.437 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 170.6 11.91 Favored Glycine 0 N--CA 1.439 -1.131 0 C-N-CA 120.906 -0.664 . . . . 0.21 111.993 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -97.32 142.96 28.56 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.558 -0.905 . . . . 1.54 108.558 178.099 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.483 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 80.4 m-85 -128.09 140.58 51.87 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.694 -0.23 . . . . 1.29 110.397 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -124.32 142.09 51.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 1.41 110.944 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -47.92 119.37 2.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 114.956 -1.02 . . . . 1.86 111.799 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.4 -50.85 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 1.46 110.783 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -147.86 157.67 43.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.569 -0.287 . . . . 1.01 110.827 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -147.04 155.18 42.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.568 -0.53 . . . . 1.72 109.568 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 24.3 tt0 -147.35 137.41 23.1 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.999 -0.546 . . . . 1.44 110.02 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 64.06 37.52 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.247 -0.888 . . . . 0.84 111.257 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -64.69 -62.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 1.39 110.992 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.527 ' HA ' HG22 ' A' ' 18' ' ' VAL . 7.5 m-20 -57.93 -40.1 79.63 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.315 -0.402 . . . . 1.3 110.963 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -43.79 94.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.095 0.474 . . . . 1.46 110.513 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.445 ' O ' HG12 ' A' ' 21' ' ' ILE . 63.1 t80 -66.12 -52.63 46.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.654 -0.703 . . . . 1.24 111.297 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.4 m -62.38 -34.86 66.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.26 111.622 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.68 -25.04 58.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.991 0.424 . . . . 1.18 110.405 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -80.85 -44.0 19.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 0.88 111.451 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 17' ' ' PHE . 14.6 pt -77.96 -6.56 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.895 0.331 . . . . 0.39 111.895 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.49 32.29 42.74 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.098 -0.572 . . . . 0.39 113.544 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.6 HD23 HG12 ' A' ' 28' ' ' ILE . 17.8 tp -71.68 132.21 85.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.886 0.343 . . . . 0.31 110.251 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' HD12 ' A' ' 23' ' ' LEU . 31.1 Cg_endo -65.2 140.23 63.93 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 121.878 1.718 . . . . 0.37 111.553 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.91 -39.58 54.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.775 0.658 . . . . 0.39 112.775 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 30' ' ' MET . 1.4 m-20 -62.3 -32.81 73.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.59 -0.277 . . . . 2.03 111.616 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 61.3 mmtt -86.49 -30.8 21.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.711 -0.478 . . . . 0.94 109.711 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.6 HG12 HD23 ' A' ' 23' ' ' LEU . 75.3 mt -61.53 -60.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.501 -0.772 . . . . 0.37 110.613 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -62.86 -24.68 67.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.587 -0.733 . . . . 1.73 111.295 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 7.8 tpt -73.46 -45.72 52.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.439 -0.8 . . . . 0.97 110.342 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.73 25.65 26.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.51 114.076 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -114.18 142.8 45.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 117.439 0.619 . . . . 2.27 110.875 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 60.04 19.62 8.78 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.106 -0.952 . . . . 1.78 110.475 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.7 m -98.8 138.71 35.56 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.485 -0.78 . . . . 1.16 110.415 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 89.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 2.49 111.405 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mm -85.5 122.02 37.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.019 -0.537 . . . . 0.66 109.911 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.7 t -100.0 131.41 47.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.88 -0.415 . . . . 0.37 109.88 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.673 ' HA ' ' O ' ' A' ' 50' ' ' THR . 52.0 m -113.87 108.98 17.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.33 110.342 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -97.42 116.52 29.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.883 -0.414 . . . . 1.39 109.883 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 48' ' ' THR . 79.1 t -111.22 129.98 65.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 123.534 0.521 . . . . 0.22 111.104 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.456 ' HA ' HG23 ' A' ' 3' ' ' THR . 89.5 t -120.64 134.9 62.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.289 -1.004 . . . . 0.95 108.289 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -98.25 115.57 28.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.176 0.512 . . . . 2.06 111.377 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -128.06 81.6 2.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.639 -0.71 . . . . 1.73 109.569 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.31 -91.98 0.75 Allowed Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.96 -0.856 . . . . 0.4 110.96 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' OD1' ' HB ' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -133.61 10.11 4.0 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.241 -0.651 . . . . 0.43 109.241 178.015 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 18.8 t70 -105.4 109.35 21.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.885 . . . . 1.36 109.032 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -100.03 130.8 46.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.931 0.396 . . . . 1.0 110.171 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 73.2 p -93.46 121.07 34.48 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.936 -0.575 . . . . 0.56 110.726 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -103.31 109.25 20.79 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.647 -0.501 . . . . 0.42 109.647 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.673 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.5 m -111.36 120.36 41.95 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.042 -0.526 . . . . 0.35 110.99 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -109.66 117.95 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.925 0.393 . . . . 1.62 110.074 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -101.62 134.11 45.27 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.93 -0.577 . . . . 0.37 110.522 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 3.7 t80 -112.2 125.24 30.48 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 115.093 -0.958 . . . . 1.23 109.965 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.7 Cg_endo -62.71 115.22 2.78 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.471 2.114 . . . . 0.46 112.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.99 28.55 72.96 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.899 -0.591 . . . . 0.46 113.263 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.5 -165.57 11.95 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.358 -0.925 . . . . 0.41 113.303 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.42 143.84 46.59 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.1 0.476 . . . . 3.34 111.798 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.0 t -104.1 159.46 15.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.877 -0.602 . . . . 0.39 110.082 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.99 139.16 42.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.18 -0.304 . . . . 0.49 110.18 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -145.71 114.3 6.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.861 0.362 . . . . 0.31 111.406 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.8 129.45 44.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.146 0.498 . . . . 1.72 110.693 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.8 p -105.54 141.47 36.96 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.432 -0.804 . . . . 1.04 109.544 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' ASP . 45.1 p90 -140.91 141.72 34.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.095 0.474 . . . . 0.88 112.185 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.553 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 52.0 m -104.85 130.75 52.93 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.134 -0.691 . . . . 0.25 109.134 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.558 HG23 ' HA ' ' A' ' 84' ' ' LYS . 45.4 mm -57.01 124.37 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.042 0.448 . . . . 0.24 110.955 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 73.26 27.8 1.9 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.93 -1.032 . . . . 1.1 109.923 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 43.6 tptt -139.36 147.72 41.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.273 -0.876 . . . . 1.59 110.577 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.93 139.81 55.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.066 -0.716 . . . . 2.55 109.066 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.43 ' HB3' ' HE3' ' A' ' 71' ' ' MET . . . -134.41 141.51 46.85 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.311 0.577 . . . . 0.31 112.376 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.43 113.49 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.72 -1.127 . . . . 1.95 108.466 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.506 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 27.1 mtt -119.73 169.93 9.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.428 0.632 . . . . 0.26 112.495 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.601 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 7.1 tt0 -158.71 140.71 13.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.668 -1.151 . . . . 1.47 108.338 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.689 HG23 ' HE1' ' A' ' 79' ' ' PHE . 37.0 p -91.27 -177.26 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.946 0.403 . . . . 0.36 111.014 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 46.3 mtp -83.55 -5.13 59.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.223 -0.444 . . . . 1.05 109.874 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.07 -18.55 39.36 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.281 -0.728 . . . . 0.48 111.281 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.46 19.2 8.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.152 -0.547 . . . . 0.48 113.239 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.601 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 14.7 mtp85 -85.2 123.54 30.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.062 0.431 . . . . 0.85 110.169 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.09 122.3 44.38 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.884 -0.784 . . . . 1.76 108.884 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.689 ' HE1' HG23 ' A' ' 73' ' ' THR . 35.4 p90 -153.4 175.88 12.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.076 0.465 . . . . 1.17 111.664 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.88 137.6 46.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.076 -0.712 . . . . 2.55 109.076 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.59 161.41 41.75 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.814 0.34 . . . . 0.24 111.116 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.22 132.94 49.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.03 -0.532 . . . . 0.33 109.645 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.49 142.31 32.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.415 -0.357 . . . . 0.19 110.052 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.558 ' HA ' HG23 ' A' ' 65' ' ' ILE . 7.2 pttt -135.91 -176.41 4.3 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.451 -0.574 . . . . 1.14 109.451 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.2 mtt -125.16 150.38 46.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.651 0.263 . . . . 0.41 110.765 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.1 78.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.895 0.379 . . . . 2.67 111.131 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.82 50.6 10.77 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.549 -0.834 . . . . 0.46 113.124 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.9 15.44 81.19 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.888 -0.673 . . . . 0.36 112.82 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -127.06 124.32 39.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.952 -0.758 . . . . 1.76 108.952 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.0 mt -78.42 121.48 31.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.528 0.204 . . . . 0.22 110.982 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' A' ' 84' ' ' LYS . 7.4 p -118.28 126.54 75.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.389 0.614 . . . . 0.25 110.895 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -101.46 137.59 39.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.747 -0.661 . . . . 0.25 109.835 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -97.06 122.09 39.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.095 0.474 . . . . 1.19 111.265 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.483 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 73.4 m-85 -145.63 151.92 47.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.166 -0.925 . . . . 1.27 110.363 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -72.87 113.27 3.72 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.175 1.917 . . . . 0.36 111.702 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.46 ' O ' ' HA ' ' A' ' 114' ' ' SER . 0.9 OUTLIER 66.03 16.53 10.5 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.778 -0.646 . . . . 1.5 110.855 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.574 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.2 t80 -136.94 128.52 28.63 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.724 -0.843 . . . . 1.31 108.724 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.604 ' O ' ' HA ' ' A' ' 112' ' ' SER . 24.5 t60 -126.93 116.59 21.04 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.36 -0.382 . . . . 1.09 110.11 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -119.58 120.36 36.48 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.989 0.181 . . . . 0.67 110.759 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.7 p -129.9 135.6 48.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.542 -0.299 . . . . 0.31 111.125 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.86 127.85 54.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.963 -0.562 . . . . 0.26 110.252 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.89 170.33 18.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.044 0.45 . . . . 1.38 110.858 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 34.6 mm -110.35 115.51 49.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.682 -0.69 . . . . 0.37 109.181 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.3 m -133.31 104.08 6.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.098 0.475 . . . . 1.37 110.452 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.65 28.3 27.16 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.533 -0.627 . . . . 0.96 111.533 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.84 21.59 79.65 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.161 -0.776 . . . . 0.5 111.161 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -133.96 152.4 51.84 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.95 0.405 . . . . 1.22 110.714 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -92.19 116.23 28.77 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.614 -0.884 . . . . 0.82 108.614 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 4.5 p -121.73 118.61 56.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 121.16 0.505 . . . . 0.33 110.266 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -103.9 141.01 36.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.616 -0.72 . . . . 1.69 110.545 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.505 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.1 mp -122.24 120.79 62.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.651 -0.704 . . . . 0.37 109.816 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.604 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.5 m -119.74 109.36 15.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.37 110.279 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -97.07 136.07 38.15 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.002 -0.544 . . . . 0.27 110.639 179.71 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 67.0 m -147.02 110.87 5.0 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.335 0.397 . . . . 1.43 110.901 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.5 m 55.32 33.85 21.61 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.552 -0.749 . . . . 0.63 112.617 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.76 -26.46 21.02 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.42 -0.895 . . . . 0.46 113.658 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 113' ' ' THR . 87.7 t -83.38 126.5 40.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.353 0.576 . . . . 0.53 111.075 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.447 HG23 HG23 ' A' ' 111' ' ' ILE . 6.7 p -105.97 109.96 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.752 0.787 . . . . 0.97 110.883 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.413 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 27.7 t80 -95.33 116.45 28.79 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.484 -0.78 . . . . 1.22 110.384 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.505 ' HG2' HG13 ' A' ' 111' ' ' ILE . 68.0 mttt -106.55 143.71 34.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.151 -0.477 . . . . 1.17 110.568 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -143.84 122.71 12.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.807 -0.633 . . . . 2.48 109.888 178.838 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 33.7 m -106.12 123.51 48.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.734 -0.667 . . . . 0.43 110.042 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.7 m -123.72 132.12 53.75 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.873 -0.417 . . . . 0.38 109.873 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 12.6 pttm -77.31 154.0 33.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 1.45 110.27 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 127.87 42.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.954 -0.567 . . . . 1.45 110.112 -179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -141.57 166.4 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.015 -0.539 . . . . 0.35 110.064 178.729 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 117.831 -1.081 . . . . 1.27 108.937 178.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 111.717 0.266 . . . . 1.24 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' ' 42' ' ' GLN . 1.3 m -55.74 136.86 50.64 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.925 0.393 . . . . 0.26 111.621 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.55 ' HA3' ' HE3' ' A' ' 125' ' ' LYS . . . 134.73 172.37 12.77 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.454 -0.879 . . . . 0.21 112.293 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.2 OUTLIER -100.85 145.72 28.22 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.751 -0.833 . . . . 1.54 108.751 178.471 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 93.5 m-85 -127.12 141.63 51.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.48 -0.327 . . . . 1.29 110.808 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -126.9 159.19 34.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.827 -0.624 . . . . 1.41 110.086 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.24 128.29 33.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 123.773 0.671 . . . . 1.86 111.029 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 122' ' ' THR . 12.0 tp10 -127.07 -52.62 1.41 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.747 -0.66 . . . . 1.46 110.051 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -152.49 163.12 40.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.995 -0.548 . . . . 1.01 110.256 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 1.1 p30 -156.61 152.71 27.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.757 -0.46 . . . . 1.72 109.757 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -141.31 140.01 33.73 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.126 -0.488 . . . . 1.44 109.895 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 60.9 31.65 20.0 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.045 0.841 . . . . 0.84 111.209 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 49.2 t80 -58.5 -62.61 1.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.611 0.226 . . . . 1.39 111.611 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.53 ' HA ' HG22 ' A' ' 18' ' ' VAL . 6.1 m-20 -60.95 -42.94 99.22 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.583 -0.28 . . . . 1.3 110.86 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -38.7 76.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.87 0.367 . . . . 1.46 110.604 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' HA ' HG11 ' A' ' 117' ' ' VAL . 74.0 t80 -69.23 -55.8 9.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.048 -0.524 . . . . 1.24 111.289 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.0 m -60.06 -36.25 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 0.26 111.791 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -72.35 -30.27 64.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.964 0.411 . . . . 1.18 110.303 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.71 -45.16 38.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 0.88 111.422 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.4 pt -74.04 -11.94 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.39 111.531 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.7 29.7 34.69 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.714 -0.755 . . . . 0.39 112.998 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.698 HD23 HG12 ' A' ' 28' ' ' ILE . 19.8 tp -68.1 133.26 91.73 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.169 -0.678 . . . . 0.31 109.169 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.653 ' HD2' HD12 ' A' ' 23' ' ' LEU . 29.7 Cg_endo -65.43 137.55 51.42 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.157 1.904 . . . . 0.37 111.447 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.66 -35.65 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.195 0.522 . . . . 0.39 111.164 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 30' ' ' MET . 33.6 t70 -56.89 -37.9 72.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.024 -0.989 . . . . 2.03 111.085 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 40.9 mmtt -90.63 -32.95 16.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.366 -0.379 . . . . 0.94 111.179 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.698 HG12 HD23 ' A' ' 23' ' ' LEU . 87.1 mt -57.52 -60.46 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.816 -0.629 . . . . 0.37 111.246 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.71 -22.66 66.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.871 -0.604 . . . . 1.73 110.652 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.469 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 8.0 tpt -71.47 -37.14 71.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.355 -0.839 . . . . 0.97 110.032 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.1 25.39 14.17 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.565 -0.826 . . . . 0.51 114.057 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -105.29 135.81 45.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.621 0.71 . . . . 2.27 110.957 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.59 23.94 9.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.293 -0.867 . . . . 1.78 110.571 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.2 m -91.54 149.36 21.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.498 -0.774 . . . . 1.16 110.341 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 76.8 4.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.222 0.534 . . . . 2.49 111.531 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.08 117.32 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.836 -0.62 . . . . 0.66 109.648 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 9.5 t -97.69 122.85 49.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 116.07 -0.514 . . . . 0.37 109.772 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' A' ' 50' ' ' THR . 40.7 m -109.35 106.1 15.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.173 -0.467 . . . . 0.33 110.375 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -95.94 118.35 32.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.559 -0.291 . . . . 1.39 110.44 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.01 125.29 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 123.811 0.694 . . . . 0.22 111.264 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.452 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 96.6 t -110.2 126.61 67.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.903 -0.777 . . . . 0.95 108.903 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HB3' ' OG1' ' A' ' 3' ' ' THR . 13.5 pt20 -81.97 120.54 25.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.225 0.536 . . . . 2.06 111.967 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.437 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 1.3 t-20 -142.19 79.49 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.806 -0.813 . . . . 1.73 108.806 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.1 -101.46 0.43 Allowed Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 114.928 -1.033 . . . . 0.4 112.113 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.47 -17.86 13.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 120.878 -0.329 . . . . 0.43 111.473 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.553 ' HB3' ' OG1' ' A' ' 64' ' ' THR . 0.2 OUTLIER -87.2 110.85 20.44 Favored 'General case' 0 N--CA 1.421 -1.886 0 CA-C-O 121.601 0.715 . . . . 1.36 111.824 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -101.53 133.12 46.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.113 -0.948 . . . . 1.0 109.477 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.452 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.6 OUTLIER -97.84 119.53 36.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.96 0.41 . . . . 0.56 111.071 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -99.14 104.52 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.953 -0.567 . . . . 0.42 109.806 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.4 m -103.05 118.06 35.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.922 -0.581 . . . . 0.35 110.996 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -103.94 119.48 39.01 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.782 0.325 . . . . 1.62 110.399 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.32 128.43 50.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.081 0.467 . . . . 0.37 110.108 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.469 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.4 t80 -109.91 124.05 34.59 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.653 -0.703 . . . . 1.23 110.417 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.469 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.3 Cg_endo -60.12 115.07 2.39 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.657 2.238 . . . . 0.46 111.909 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.62 27.34 67.99 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.763 -0.653 . . . . 0.46 112.793 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.24 -169.13 13.38 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.969 -1.11 . . . . 0.41 113.571 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.57 147.61 51.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.197 0.522 . . . . 3.34 112.013 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 t -105.81 159.48 15.97 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.251 -0.648 . . . . 0.39 109.251 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.8 m -146.24 120.13 9.32 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.72 0.295 . . . . 0.49 110.239 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 m -121.68 124.52 44.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.616 -0.265 . . . . 0.31 110.803 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.43 133.99 54.61 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.127 0.489 . . . . 1.72 110.946 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.6 p -111.88 127.29 55.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.568 -0.742 . . . . 1.04 110.18 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 46' ' ' ASP . 45.7 p90 -136.16 151.97 50.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 0.88 110.847 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 97.9 m -120.97 133.03 55.26 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.038 -0.528 . . . . 0.25 109.995 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.7 mm -57.23 127.27 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.829 0.347 . . . . 0.24 111.049 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t70 70.76 24.24 4.3 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.912 0.885 . . . . 1.1 109.629 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 17.9 tptm -136.93 141.32 42.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.976 -1.011 . . . . 1.59 110.82 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' O ' ' HE2' ' A' ' 67' ' ' LYS . 16.6 pt-20 -69.72 133.88 48.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.368 -0.605 . . . . 2.55 109.368 177.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -127.72 159.63 34.18 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.109 0.48 . . . . 0.31 111.863 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -102.65 124.55 48.4 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.544 -0.91 . . . . 1.95 108.544 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.617 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 6.1 mtt -129.34 162.18 28.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.763 0.792 . . . . 0.26 112.157 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.683 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -148.3 135.17 20.03 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.128 -1.434 . . . . 1.47 107.128 178.181 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.733 HG23 ' HE1' ' A' ' 79' ' ' PHE . 69.7 p -87.68 176.27 7.5 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.546 -0.462 . . . . 0.36 110.724 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.2 mtp -79.53 -5.62 55.25 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.236 -0.653 . . . . 1.05 109.236 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.22 -11.9 58.04 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.657 -0.701 . . . . 0.48 111.659 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.95 29.79 6.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.149 -0.548 . . . . 0.48 113.301 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.683 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 22.0 mtp85 -97.52 119.3 35.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.986 0.393 . . . . 0.85 110.872 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -98.09 122.5 41.3 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.802 -0.814 . . . . 1.76 108.802 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.733 ' HE1' HG23 ' A' ' 73' ' ' THR . 51.2 p90 -156.36 169.6 24.22 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.633 0.73 . . . . 1.17 112.704 -178.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.06 137.39 52.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.924 -1.035 . . . . 2.55 108.966 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.63 158.63 44.34 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.934 0.397 . . . . 0.24 111.173 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -104.2 135.7 45.19 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.939 -0.573 . . . . 0.33 109.851 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 t -116.09 145.17 22.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.181 -0.463 . . . . 0.19 110.739 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.458 ' CG ' HG13 ' A' ' 91' ' ' VAL . 15.0 pttt -133.94 175.78 9.16 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.559 -0.534 . . . . 1.14 109.559 179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.0 mtt -128.94 125.66 37.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.846 0.355 . . . . 0.41 111.124 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 6.6 pt-20 -118.14 89.22 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.057 -0.52 . . . . 2.67 111.507 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.64 50.24 44.26 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.061 -0.59 . . . . 0.46 113.074 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.07 17.66 79.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.857 -0.687 . . . . 0.36 112.746 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -124.03 116.87 23.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.534 -0.543 . . . . 1.76 109.534 179.612 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.1 mt -77.71 110.95 13.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.0 -0.545 . . . . 0.22 110.621 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.458 HG13 ' CG ' ' A' ' 84' ' ' LYS . 3.4 p -113.97 131.99 64.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.151 0.5 . . . . 0.25 110.544 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -113.75 143.66 44.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.856 -0.611 . . . . 0.25 110.535 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -96.79 126.84 42.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.243 -0.435 . . . . 1.19 111.403 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.507 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 82.4 m-85 -143.68 152.04 55.13 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 1.27 109.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -68.93 114.11 3.46 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 121.86 1.706 . . . . 0.36 112.306 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 114' ' ' SER . 62.3 t30 62.43 22.91 13.56 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.934 0.873 . . . . 1.5 110.549 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.7 t80 -142.01 121.23 13.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.344 -0.844 . . . . 1.31 109.769 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -114.06 110.92 20.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.421 -0.585 . . . . 1.09 109.421 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -115.15 122.88 47.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.228 0.33 . . . . 0.67 111.37 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.7 p -131.89 130.64 41.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.874 -0.603 . . . . 0.31 110.758 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.0 130.26 56.55 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.693 -0.484 . . . . 0.26 109.693 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -155.11 171.27 20.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.012 0.434 . . . . 1.38 111.037 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.7 mm -112.54 128.3 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.598 -0.728 . . . . 0.37 110.074 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.8 m -142.68 116.05 9.03 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.866 -0.42 . . . . 1.37 109.866 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.15 29.31 66.81 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.756 -0.735 . . . . 0.96 111.596 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.93 23.2 78.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.003 -0.618 . . . . 0.5 111.801 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.16 148.67 52.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 1.22 110.891 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.9 tm? -90.91 124.8 35.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.939 -0.763 . . . . 0.82 108.939 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.7 p -130.87 114.1 26.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 121.428 0.632 . . . . 0.33 110.431 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -104.24 120.84 42.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.574 -0.739 . . . . 1.69 109.801 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.37 130.24 48.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.113 -0.494 . . . . 0.37 109.765 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 m -125.33 104.5 8.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.087 -0.506 . . . . 0.37 110.924 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -95.39 134.59 38.02 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.676 -0.49 . . . . 0.27 109.676 178.492 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.512 ' O ' HG12 ' A' ' 117' ' ' VAL . 6.9 t -153.07 119.54 5.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.921 0.391 . . . . 1.43 110.478 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 m 59.9 25.29 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.705 -0.679 . . . . 0.63 111.983 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.12 -27.24 20.22 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.473 -0.87 . . . . 0.46 113.279 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 114' ' ' SER . 1.7 p -80.31 134.87 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.902 0.382 . . . . 0.53 110.244 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.98 115.03 48.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.317 0.579 . . . . 0.97 111.425 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.411 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 39.4 t80 -98.94 132.55 44.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.871 -0.604 . . . . 1.22 110.149 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -130.37 139.47 50.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.355 -0.384 . . . . 1.17 110.009 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.0 ptt85 -144.48 123.67 12.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.296 0.569 . . . . 2.48 110.843 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 2.8 m -93.26 125.98 38.13 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.12 -0.945 . . . . 0.43 109.899 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m -120.33 131.1 54.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.757 -0.46 . . . . 0.38 109.757 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.4 pttm -80.03 148.24 31.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.317 -0.401 . . . . 1.45 110.37 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.55 ' HE3' ' HA3' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -94.66 123.1 37.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.212 0.53 . . . . 1.45 110.843 -179.134 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.9 167.03 14.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.717 -0.674 . . . . 0.35 109.623 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.63 -0.7 . . . . 1.27 110.165 178.642 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.651 0.263 . . . . 1.24 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.473 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.7 m -58.72 140.08 55.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.26 111.329 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.495 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 132.97 172.53 13.03 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 119.951 -1.119 . . . . 0.21 112.258 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -101.99 143.67 31.56 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.156 -0.683 . . . . 1.54 109.156 178.644 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.639 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 74.2 m-85 -129.18 139.88 51.73 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.347 -0.388 . . . . 1.29 110.497 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -124.83 151.91 44.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.263 -0.643 . . . . 1.41 109.263 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.419 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 28.4 t80 -48.55 118.96 2.76 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.742 0.651 . . . . 1.86 112.034 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.524 ' OE1' ' HB3' ' A' ' 124' ' ' LYS . 0.8 OUTLIER -110.04 -47.76 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.439 -0.8 . . . . 1.46 109.512 179.204 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m -161.56 174.35 13.49 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.136 -0.484 . . . . 1.01 110.237 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.551 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -156.95 163.71 38.83 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.659 -0.497 . . . . 1.72 109.659 179.835 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 23.6 tt0 -151.12 139.11 20.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 1.44 110.486 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 63.01 33.63 14.62 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.19 0.931 . . . . 0.84 111.954 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.551 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 89.2 t80 -61.57 -59.54 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.667 0.27 . . . . 1.39 111.351 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.15 -44.16 74.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.604 . . . . 1.3 111.182 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.17 -44.67 96.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.962 -0.563 . . . . 1.46 110.571 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.481 ' O ' HG12 ' A' ' 21' ' ' ILE . 73.1 t80 -62.71 -55.73 24.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.723 -0.671 . . . . 1.24 111.391 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.47 -35.89 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.26 111.525 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -74.55 -30.54 61.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 1.18 110.873 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -73.4 -45.44 54.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.381 -0.372 . . . . 0.88 111.036 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 17' ' ' PHE . 35.4 pt -74.53 -12.78 15.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.963 0.411 . . . . 0.39 110.901 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.3 36.02 31.99 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.964 -0.636 . . . . 0.39 112.742 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.632 HD23 HG12 ' A' ' 28' ' ' ILE . 20.6 tp -69.14 132.97 89.84 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.877 -0.416 . . . . 0.31 109.877 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HD2' HD12 ' A' ' 23' ' ' LEU . 30.1 Cg_endo -65.78 141.67 66.63 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.164 1.909 . . . . 0.37 111.492 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.97 -37.66 53.86 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.526 0.516 . . . . 0.39 111.68 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -57.25 -37.06 71.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.651 -0.704 . . . . 2.03 111.595 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -88.36 -35.33 17.22 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.032 -0.267 . . . . 0.94 110.377 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.632 HG12 HD23 ' A' ' 23' ' ' LEU . 60.2 mt -57.41 -58.24 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.852 -0.613 . . . . 0.37 110.603 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.51 -27.25 69.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 1.73 111.405 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.0 tpt -75.01 -36.78 61.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.076 -0.511 . . . . 0.97 110.294 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.23 40.15 2.58 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.767 -0.73 . . . . 0.51 113.201 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -101.93 118.01 36.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.346 0.573 . . . . 2.27 110.921 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.13 22.5 11.76 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.592 -0.731 . . . . 1.78 112.078 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.1 m -76.56 148.29 37.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.295 -0.411 . . . . 1.16 110.13 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' HA ' ' HB2' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.61 81.58 7.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.186 0.517 . . . . 2.49 111.488 -179.159 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -82.45 114.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.939 -0.573 . . . . 0.66 109.662 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 6.6 t -79.81 135.09 26.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.073 -0.512 . . . . 0.37 110.29 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 50' ' ' THR . 27.9 m -116.8 107.24 14.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.083 -0.508 . . . . 0.33 109.914 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 2.3 mm-40 -102.16 121.65 42.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.746 0.307 . . . . 1.39 110.782 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 48' ' ' THR . 58.0 t -116.46 134.72 59.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.651 -0.704 . . . . 0.22 111.316 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' OG1' ' A' ' 48' ' ' THR . 4.4 p -119.74 140.26 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.721 -0.844 . . . . 0.95 108.721 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.473 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 46.1 tp60 -85.35 121.37 27.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.697 0.284 . . . . 2.06 111.198 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -142.17 72.91 1.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 1.73 110.203 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.5 -104.54 1.08 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.162 -0.775 . . . . 0.4 111.162 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -116.61 7.16 13.54 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.381 0.61 . . . . 0.43 109.358 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 34.4 t70 -100.89 108.53 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.114 -0.948 . . . . 1.36 108.996 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -106.86 132.98 52.21 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.097 -0.705 . . . . 1.0 109.097 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.565 ' OG1' HG12 ' A' ' 41' ' ' VAL . 70.1 p -99.71 130.72 45.95 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.979 -0.288 . . . . 0.56 110.922 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -111.11 100.51 9.16 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.66 -0.867 . . . . 0.42 108.66 178.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 38' ' ' THR . 5.2 m -101.03 111.34 23.52 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.08 -0.509 . . . . 0.35 110.671 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -100.53 117.37 34.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.477 -0.329 . . . . 1.62 110.197 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.434 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 93.4 m-70 -105.54 132.27 51.91 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.865 -0.42 . . . . 0.37 109.865 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -101.24 133.84 20.69 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.942 -0.572 . . . . 1.23 109.806 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.06 112.79 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.08 1.853 . . . . 0.46 111.752 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.76 22.11 67.93 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.961 -0.638 . . . . 0.46 112.489 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.31 -167.53 10.99 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.358 -0.925 . . . . 0.41 113.517 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.08 142.83 50.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.35 0.595 . . . . 3.34 112.167 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -96.9 159.71 14.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.825 -0.625 . . . . 0.39 110.109 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -139.47 108.8 6.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.36 -0.382 . . . . 0.49 110.005 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.6 m -113.44 129.93 56.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.052 0.39 . . . . 0.31 112.052 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -132.79 142.64 49.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.716 -0.476 . . . . 1.72 109.716 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.2 p -124.31 122.82 38.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.105 -0.702 . . . . 1.04 109.105 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -130.58 139.34 50.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.397 0.618 . . . . 0.88 112.509 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 46' ' ' ASP . 39.3 m -103.36 127.43 50.72 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.027 -0.988 . . . . 0.25 108.715 178.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.2 mm -55.39 127.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.058 0.224 . . . . 0.24 110.579 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t0 75.81 20.08 1.85 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.163 0.914 . . . . 1.1 110.433 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 25.2 tptt -135.12 146.15 48.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.502 -0.772 . . . . 1.59 110.279 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 36.4 mp0 -74.72 124.01 25.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.035 -0.529 . . . . 2.55 109.728 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -116.81 156.25 27.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.176 0.513 . . . . 0.31 112.178 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.16 122.85 35.96 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.304 -0.999 . . . . 1.95 108.304 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.594 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 8.9 mtt -127.41 166.08 18.58 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.432 0.634 . . . . 0.26 112.176 -178.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.672 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 22.6 tt0 -148.18 146.79 28.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.456 -1.247 . . . . 1.47 108.93 178.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.625 HG23 ' HE1' ' A' ' 79' ' ' PHE . 26.1 p -100.45 169.21 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.489 -0.56 . . . . 0.36 109.489 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.2 mtt -73.95 -0.57 16.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.222 0.534 . . . . 1.05 110.129 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.48 -8.21 61.26 Favored Glycine 0 N--CA 1.439 -1.144 0 N-CA-C 110.831 -0.908 . . . . 0.48 110.831 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.29 34.37 6.75 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 121.02 -0.609 . . . . 0.48 112.749 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.672 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 18.7 mtp180 -100.67 126.47 47.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.948 -0.148 . . . . 0.85 111.169 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -103.81 121.52 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.977 -0.749 . . . . 1.76 108.977 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.625 ' HE1' HG23 ' A' ' 73' ' ' THR . 45.6 p90 -155.61 176.39 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.027 0.441 . . . . 1.17 111.65 -178.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.26 145.55 51.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.761 -0.829 . . . . 2.55 108.761 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -155.69 159.6 39.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.24 111.51 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -101.08 130.04 47.05 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.126 -0.488 . . . . 0.33 110.297 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.0 t -114.26 139.66 38.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.219 -0.446 . . . . 0.19 110.209 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.447 ' HG3' HG13 ' A' ' 91' ' ' VAL . 26.6 pttt -130.2 -179.98 5.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.659 -0.497 . . . . 1.14 109.659 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mtt -127.51 135.2 50.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.696 0.284 . . . . 0.41 110.33 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -120.56 91.0 3.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.135 -0.484 . . . . 2.67 111.402 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.95 50.03 63.63 Favored Glycine 0 CA--C 1.516 0.147 0 C-N-CA 121.027 -0.606 . . . . 0.46 113.77 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.61 15.09 81.36 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.466 -0.873 . . . . 0.36 113.25 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -127.5 125.73 40.98 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.813 -0.81 . . . . 1.76 108.813 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 100' ' ' THR . 3.3 mt -78.35 122.71 33.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.819 0.342 . . . . 0.22 111.116 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.447 HG13 ' HG3' ' A' ' 84' ' ' LYS . 7.3 p -122.78 130.35 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 121.422 0.63 . . . . 0.25 110.588 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -109.14 138.41 45.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.627 -0.715 . . . . 0.25 110.508 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.43 125.99 39.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.236 0.541 . . . . 1.19 111.712 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 66.6 m-85 -148.8 156.87 41.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.289 -0.869 . . . . 1.27 110.975 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.86 114.55 4.0 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.281 1.987 . . . . 0.36 111.775 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.557 ' O ' ' HA ' ' A' ' 114' ' ' SER . 55.0 m-80 64.16 16.05 9.76 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.187 0.595 . . . . 1.5 111.478 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.53 ' HB3' ' HB2' ' A' ' 94' ' ' PHE . 3.7 t80 -133.37 130.85 39.35 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.623 -0.51 . . . . 1.31 109.623 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -126.98 105.87 8.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.826 -0.624 . . . . 1.09 109.507 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -110.71 118.34 35.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.535 -0.302 . . . . 0.67 111.766 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 33.0 p -128.45 130.69 47.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.003 -0.544 . . . . 0.31 110.477 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.41 130.38 56.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.046 -0.524 . . . . 0.26 109.964 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -151.96 168.09 26.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.178 0.513 . . . . 1.38 110.981 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.7 mm -109.81 123.86 66.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.241 -0.891 . . . . 0.37 110.165 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 m -130.79 103.42 6.57 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.099 0.476 . . . . 1.37 110.472 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.93 32.32 63.7 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.59 -0.732 . . . . 0.96 112.716 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.25 21.37 73.38 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.709 -0.758 . . . . 0.5 111.987 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.5 140.06 51.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.758 0.313 . . . . 1.22 110.428 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.2 tm? -85.9 118.06 25.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.852 -0.795 . . . . 0.82 108.852 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.14 105.94 16.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-O 121.485 0.659 . . . . 0.33 109.806 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -96.12 135.05 38.44 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.532 -0.758 . . . . 1.69 110.309 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.536 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.1 mp -113.52 128.47 70.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.136 -0.69 . . . . 0.37 109.136 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.9 m -123.59 103.67 8.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.874 -0.603 . . . . 0.37 110.099 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.701 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -92.2 123.68 35.72 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.214 -0.448 . . . . 0.27 110.094 179.208 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 62.8 m -133.16 106.58 7.67 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 121.118 0.485 . . . . 1.43 110.406 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.3 m 58.24 35.4 24.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.955 -1.02 . . . . 0.63 111.797 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.53 -36.75 4.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.64 -0.791 . . . . 0.46 113.528 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.67 119.68 19.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.863 0.363 . . . . 0.53 110.958 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.701 HG22 HG23 ' A' ' 113' ' ' THR . 57.5 t -95.53 110.12 23.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.97 111.105 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -97.88 128.16 44.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.958 -0.565 . . . . 1.22 109.714 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.536 ' HG2' HG13 ' A' ' 111' ' ' ILE . 52.2 mttt -119.23 141.69 48.69 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.706 0.289 . . . . 1.17 110.618 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -137.13 119.93 16.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.411 0.624 . . . . 2.48 109.888 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.81 132.84 43.06 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.44 -0.8 . . . . 0.43 109.88 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.6 m -134.65 131.81 38.21 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.941 0.401 . . . . 0.38 110.042 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.524 ' HB3' ' OE1' ' A' ' 9' ' ' GLU . 65.4 pttt -79.77 149.7 31.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.263 -0.426 . . . . 1.45 111.061 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.639 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -90.72 117.7 29.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.152 0.501 . . . . 1.45 110.245 179.314 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.541 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -133.17 169.75 21.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.449 -0.796 . . . . 0.35 109.774 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.405 0 CA-C-O 118.38 -0.819 . . . . 1.27 109.244 177.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.497 0.189 . . . . 1.24 111.132 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -64.02 144.67 56.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.26 111.711 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.03 169.0 12.42 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.585 -0.817 . . . . 0.21 111.948 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 142.36 29.39 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.833 -1.173 . . . . 1.54 107.833 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.544 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 82.7 m-85 -128.22 138.89 52.65 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.801 0.334 . . . . 1.29 110.645 -178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -119.71 152.02 37.83 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.155 -0.475 . . . . 1.41 109.953 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.49 121.53 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.804 0.69 . . . . 1.86 111.106 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 122' ' ' THR . 2.0 tt0 -117.65 -43.75 2.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 1.46 110.994 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -154.31 172.77 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.311 . . . . 1.01 111.469 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.32 153.22 27.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.751 -0.659 . . . . 1.72 110.292 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 30.1 tt0 -147.33 137.54 23.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.474 -0.784 . . . . 1.44 110.259 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 60.81 34.77 19.64 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.294 -0.866 . . . . 0.84 111.24 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -64.31 -58.46 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 1.39 111.541 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.438 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.1 m-20 -61.31 -39.03 88.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.3 111.488 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 4.2 m-20 -63.44 -40.33 96.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.193 0.521 . . . . 1.46 110.08 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 21' ' ' ILE . 58.8 t80 -66.59 -55.64 14.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.209 -0.905 . . . . 1.24 111.444 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 15' ' ' ASP . 30.7 m -59.22 -38.55 75.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.26 112.046 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -72.93 -28.23 62.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 1.18 111.084 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ASP . 37.2 tptt -76.54 -44.73 33.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.217 -0.447 . . . . 0.88 111.709 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.3 pt -77.03 -14.21 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.283 -0.417 . . . . 0.39 112.063 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.37 36.12 15.42 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.581 -0.819 . . . . 0.39 112.819 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.737 HD23 HG12 ' A' ' 28' ' ' ILE . 16.0 tp -70.94 133.53 86.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.16 -0.682 . . . . 0.31 109.16 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' O ' HG13 ' A' ' 28' ' ' ILE . 28.6 Cg_endo -65.9 140.2 59.85 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.148 1.899 . . . . 0.37 111.324 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.79 -34.92 60.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.39 110.999 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.72 -43.98 69.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 2.03 111.009 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -88.62 -29.97 19.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.104 -0.498 . . . . 0.94 110.776 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.737 HG12 HD23 ' A' ' 23' ' ' LEU . 67.9 mt -58.55 -58.28 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 0.37 110.403 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 16.4 mm-40 -67.65 -24.58 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 1.73 111.369 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.425 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 9.8 tpt -81.42 -22.79 37.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.889 -0.596 . . . . 0.97 111.471 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.93 19.71 15.29 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 119.94 -1.124 . . . . 0.51 113.471 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.537 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.3 ptp180 -107.29 131.46 54.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.289 0.545 . . . . 2.27 110.872 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.23 9.4 6.31 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.683 -0.689 . . . . 1.78 111.774 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.4 m -82.36 158.27 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.287 -0.415 . . . . 1.16 110.29 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -93.85 98.21 10.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.517 0.675 . . . . 2.49 112.01 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.17 123.2 55.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.513 -0.767 . . . . 0.66 109.472 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -94.68 130.38 43.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.115 -0.493 . . . . 0.37 110.347 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 50' ' ' THR . 40.1 m -110.78 105.88 14.88 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.874 -0.417 . . . . 0.33 109.874 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -98.5 111.12 23.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.888 0.375 . . . . 1.39 110.309 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 48' ' ' THR . 60.6 t -104.26 127.35 58.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 0.22 111.675 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.66 130.16 70.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.859 -0.793 . . . . 0.95 108.859 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.434 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 64.8 tt0 -90.01 121.81 32.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.153 0.501 . . . . 2.06 111.897 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -134.65 74.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.508 -0.769 . . . . 1.73 109.009 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.77 -101.88 1.15 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.657 -0.977 . . . . 0.4 110.657 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.51 10.9 12.77 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.942 -0.762 . . . . 0.43 108.942 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -106.44 111.7 24.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.875 -1.057 . . . . 1.36 109.715 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.2 135.67 51.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.052 0.453 . . . . 1.0 110.403 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 1.2 p -102.32 122.94 45.23 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.151 -0.477 . . . . 0.56 111.03 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -99.31 103.12 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.06 -0.718 . . . . 0.42 109.06 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.535 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.4 m -105.62 109.77 21.86 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.019 -0.537 . . . . 0.35 111.114 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -101.17 118.55 37.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.315 -0.402 . . . . 1.62 110.541 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -101.63 124.51 47.4 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.996 -0.547 . . . . 0.37 110.655 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 6.7 t80 -102.23 133.44 20.6 Favored Pre-proline 0 N--CA 1.443 -0.796 0 CA-C-N 115.95 -0.568 . . . . 1.23 109.577 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.493 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 48.3 Cg_endo -69.92 113.67 3.48 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.874 1.716 . . . . 0.46 111.392 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.42 28.67 73.87 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 121.263 -0.494 . . . . 0.46 113.514 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.22 -166.04 12.18 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.536 -0.84 . . . . 0.41 112.795 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 148.07 45.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.01 0.434 . . . . 3.34 111.212 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.5 t -97.81 155.93 16.82 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.372 -0.603 . . . . 0.39 109.372 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -132.99 108.14 8.71 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.721 -0.474 . . . . 0.49 109.721 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 m -122.61 120.47 33.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.274 -0.421 . . . . 0.31 111.478 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -125.03 131.91 53.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.326 -0.397 . . . . 1.72 110.17 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.3 p -107.45 123.42 48.38 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.35 -0.611 . . . . 1.04 109.35 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -134.76 144.44 47.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.571 0.7 . . . . 0.88 112.338 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 23.6 m -111.46 133.45 53.74 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.186 -0.915 . . . . 0.25 109.547 178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.89 129.48 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.655 0.264 . . . . 0.24 110.963 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 t70 73.4 19.79 3.35 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.207 1.003 . . . . 1.1 110.2 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HE3' ' HG3' ' A' ' 68' ' ' GLU . 34.8 tptt -136.64 144.34 43.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.7 -0.682 . . . . 1.59 110.626 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HG3' ' HE3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -69.84 146.32 51.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.171 -0.677 . . . . 2.55 109.171 177.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -137.64 149.4 46.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.905 0.383 . . . . 0.31 111.699 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.34 117.04 22.11 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.807 -1.183 . . . . 1.95 107.807 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.503 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 28.2 mtt -120.05 166.03 13.92 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.389 0.614 . . . . 0.26 112.196 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 3.1 tt0 -156.07 147.11 22.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.896 -1.047 . . . . 1.47 108.866 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.562 HG23 ' HE1' ' A' ' 79' ' ' PHE . 14.1 p -102.02 168.02 9.66 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 120.958 0.409 . . . . 0.36 109.913 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 43.4 mtt -68.66 -13.92 62.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.055 -0.521 . . . . 1.05 110.58 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.28 -12.1 71.04 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.798 -0.521 . . . . 0.48 111.798 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.91 52.3 1.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.146 -0.55 . . . . 0.48 112.853 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.579 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.5 mtp85 -114.06 120.69 41.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.204 -0.295 . . . . 0.85 110.204 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -93.25 121.65 34.84 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.539 -0.541 . . . . 1.76 109.539 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' HE1' HG23 ' A' ' 73' ' ' THR . 42.3 p90 -161.9 177.22 10.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.114 0.483 . . . . 1.17 111.71 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -140.98 141.22 34.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.57 -0.741 . . . . 2.55 109.692 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -146.99 162.16 39.34 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.131 -0.486 . . . . 0.24 111.399 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -100.73 129.95 46.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 0.33 110.203 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.4 t -110.77 144.38 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.443 -0.344 . . . . 0.19 110.643 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -135.74 176.53 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.721 -0.474 . . . . 1.14 109.721 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 mtt -128.0 132.85 49.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.618 0.246 . . . . 0.41 111.123 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.14 81.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.314 -0.403 . . . . 2.67 110.685 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.93 55.13 14.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.165 -0.54 . . . . 0.46 113.134 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.43 22.33 77.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.899 -0.667 . . . . 0.36 112.555 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -130.84 111.97 12.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.465 -0.568 . . . . 1.76 109.465 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 mt -72.83 121.83 24.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.22 110.77 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.91 136.29 61.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.283 0.563 . . . . 0.25 110.38 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.44 133.06 56.46 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.661 -0.7 . . . . 0.25 110.363 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -91.7 122.61 34.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.436 0.636 . . . . 1.19 111.755 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.483 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 69.7 m-85 -140.32 156.67 69.7 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.097 -0.956 . . . . 1.27 109.961 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -67.15 111.7 2.32 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 121.773 1.649 . . . . 0.36 111.878 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.455 ' O ' ' HA ' ' A' ' 114' ' ' SER . 3.4 t-20 62.83 20.01 11.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.636 -0.711 . . . . 1.5 110.854 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.516 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.7 t80 -138.19 126.67 23.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 1.31 109.577 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.46 ' O ' ' HA ' ' A' ' 112' ' ' SER . 0.2 OUTLIER -124.2 110.37 14.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.662 -0.699 . . . . 1.09 110.122 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -106.68 120.15 41.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.613 -0.267 . . . . 0.67 110.421 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.7 p -129.11 132.32 47.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.591 -0.277 . . . . 0.31 110.742 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HB2' ' HG2' ' A' ' 110' ' ' GLU . . . -122.42 128.2 50.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.412 -0.358 . . . . 0.26 110.96 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -146.37 172.27 13.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.055 0.455 . . . . 1.38 110.939 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.8 mm -111.47 110.74 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.294 -0.632 . . . . 0.37 109.294 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 72.7 m -119.05 105.05 11.04 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.716 -0.675 . . . . 1.37 110.408 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.06 30.71 58.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.951 -0.643 . . . . 0.96 112.288 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.39 15.55 79.76 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.58 -0.819 . . . . 0.5 112.446 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -125.8 144.95 50.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.588 0.194 . . . . 1.22 110.999 -179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.465 HD11 ' HB1' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -90.06 106.44 18.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.226 -0.657 . . . . 0.82 109.226 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -109.39 114.43 46.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.758 -0.655 . . . . 0.33 109.809 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HG2' ' HB2' ' A' ' 101' ' ' ALA . 50.6 mt-10 -102.57 128.81 49.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.814 -0.63 . . . . 1.69 110.38 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.564 HG13 ' HG2' ' A' ' 120' ' ' LYS . 3.8 mp -108.92 133.65 53.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.658 -0.701 . . . . 0.37 110.271 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 50.9 m -127.6 110.73 12.99 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.605 -0.517 . . . . 0.37 109.605 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.647 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -98.6 131.85 44.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.429 -0.35 . . . . 0.27 110.486 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 56.3 m -148.06 114.75 6.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.924 0.392 . . . . 1.43 110.309 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m 59.23 27.5 16.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.302 -0.863 . . . . 0.63 111.862 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 101.76 -20.37 46.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.46 113.12 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.0 t -82.21 120.75 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.908 0.354 . . . . 0.53 110.341 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.647 HG22 HG23 ' A' ' 113' ' ' THR . 51.8 t -98.11 107.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.042 -0.526 . . . . 0.97 110.856 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -92.79 123.19 35.89 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.691 -0.686 . . . . 1.22 110.123 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.564 ' HG2' HG13 ' A' ' 111' ' ' ILE . 23.1 mttt -121.38 141.16 51.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.863 0.363 . . . . 1.17 111.114 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.405 HH12 ' CD ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -147.52 117.7 7.32 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.206 0.526 . . . . 2.48 110.35 177.215 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 32.1 m -88.69 139.01 30.9 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.569 -0.742 . . . . 0.43 110.051 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.86 135.64 49.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.208 -0.451 . . . . 0.38 110.384 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 18.8 pttp -82.97 153.39 25.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.662 0.268 . . . . 1.45 110.968 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -94.85 127.6 40.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 1.45 110.975 -179.415 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.19 167.27 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.644 -0.707 . . . . 0.35 109.31 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 CA-C-O 118.379 -0.82 . . . . 1.27 109.935 178.38 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 N--CA 1.462 0.137 0 N-CA-C 112.15 0.426 . . . . 1.24 112.15 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.3 m -67.81 138.82 56.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.113 0.412 . . . . 0.26 112.113 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.82 169.19 11.87 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.705 -0.76 . . . . 0.21 112.173 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.507 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -95.22 142.84 27.17 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.003 -0.74 . . . . 1.54 109.003 178.49 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.596 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 91.4 m-85 -125.75 139.47 53.49 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.426 -0.352 . . . . 1.29 111.061 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -122.81 147.88 46.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.318 -0.401 . . . . 1.41 110.55 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.457 ' HB3' ' HA ' ' A' ' 35' ' ' LYS . 19.9 t80 -48.69 124.52 8.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.307 -0.86 . . . . 1.86 111.421 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -124.41 -51.54 1.74 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.468 -0.787 . . . . 1.46 109.902 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.411 ' HB2' ' HB ' ' A' ' 122' ' ' THR . 20.2 m -145.53 152.98 40.6 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.736 -0.666 . . . . 1.01 109.805 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -146.77 156.99 43.56 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.45 -0.574 . . . . 1.72 109.45 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -154.21 141.56 19.63 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.272 0.471 . . . . 1.44 112.272 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.66 35.99 6.66 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.03 -0.986 . . . . 0.84 112.186 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' O ' HG22 ' A' ' 18' ' ' VAL . 34.5 t80 -69.81 -56.52 6.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.96 -0.564 . . . . 1.39 111.245 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.514 ' HA ' HG22 ' A' ' 18' ' ' VAL . 2.0 m-20 -60.45 -41.12 93.43 Favored 'General case' 0 CA--C 1.517 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.3 112.072 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -38.69 92.14 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.201 0.524 . . . . 1.46 110.425 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.448 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 61.5 t80 -69.6 -52.16 28.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.358 -0.837 . . . . 1.24 110.897 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 15' ' ' ASP . 32.0 m -64.05 -39.42 85.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.0 -0.545 . . . . 0.26 111.597 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -67.27 -26.0 66.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.9 0.381 . . . . 1.18 110.578 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -80.77 -47.77 13.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.253 -0.43 . . . . 0.88 111.768 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.4 pt -73.93 -5.73 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 111.786 0.291 . . . . 0.39 111.786 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.73 35.18 46.68 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.844 -0.693 . . . . 0.39 113.168 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD12 ' HD2' ' A' ' 24' ' ' PRO . 26.5 tp -68.99 133.43 90.0 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.404 -0.591 . . . . 0.31 109.404 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.711 ' HD2' HD12 ' A' ' 23' ' ' LEU . 25.2 Cg_endo -64.17 142.14 78.99 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.35 2.033 . . . . 0.37 111.529 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.04 63.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.39 111.205 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -53.94 -42.57 68.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.195 -0.911 . . . . 2.03 111.317 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -88.08 -33.13 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.903 -0.319 . . . . 0.94 110.825 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.543 HG12 HD23 ' A' ' 23' ' ' LEU . 46.0 mt -57.06 -55.23 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.072 0.463 . . . . 0.37 110.828 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 52.0 mm-40 -68.28 -28.76 67.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.69 -0.686 . . . . 1.73 111.839 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.454 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.7 tpt -76.87 -28.76 55.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.12 -0.491 . . . . 0.97 111.426 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.03 23.57 20.92 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.204 -0.998 . . . . 0.51 113.975 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.2 ptp180 -110.87 135.36 51.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.685 0.743 . . . . 2.27 110.417 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 65.67 16.85 10.68 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.796 -0.638 . . . . 1.78 110.716 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.7 m -91.48 154.2 19.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.066 -0.515 . . . . 1.16 110.914 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -93.38 91.79 7.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.235 0.54 . . . . 2.49 111.761 -179.465 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 mp -90.31 136.16 24.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.819 -0.628 . . . . 0.66 109.412 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -104.95 132.41 51.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.681 -0.236 . . . . 0.37 110.905 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.759 ' HA ' ' O ' ' A' ' 50' ' ' THR . 73.4 m -115.25 110.19 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.441 -0.345 . . . . 0.33 110.285 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.507 ' HG2' ' HB2' ' A' ' 5' ' ' LYS . 51.9 mt-10 -101.44 117.41 34.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.882 0.372 . . . . 1.39 110.096 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 48' ' ' THR . 96.6 t -108.65 127.04 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.53 -0.759 . . . . 0.22 112.495 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.1 t -113.98 126.55 71.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.71 -0.848 . . . . 0.95 108.71 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.508 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 24.6 tt0 -89.39 102.91 15.58 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.268 0.47 . . . . 2.06 112.268 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.502 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 70.7 m-20 -109.58 72.4 0.8 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.303 -0.628 . . . . 1.73 109.303 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.04 -101.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 111.14 -0.784 . . . . 0.4 111.14 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' O ' HG12 ' A' ' 65' ' ' ILE . 2.2 m-20 -109.29 5.22 23.46 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.206 -0.664 . . . . 0.43 109.206 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.504 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 15.4 t70 -105.47 111.28 23.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.274 -0.875 . . . . 1.36 110.35 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -107.34 133.25 52.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.969 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 61.9 p -95.95 134.68 38.67 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.922 0.391 . . . . 0.56 110.923 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -114.61 102.59 10.18 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.865 -0.791 . . . . 0.42 108.865 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.759 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.9 m -104.96 120.12 40.68 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.117 -0.492 . . . . 0.35 110.395 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -107.53 116.82 32.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.203 -0.295 . . . . 1.62 110.203 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -105.86 135.57 47.06 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.79 -0.448 . . . . 0.37 109.79 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.472 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 8.3 t80 -109.37 131.67 21.73 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 116.297 -0.41 . . . . 1.23 110.617 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.0 Cg_endo -63.13 114.27 2.39 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.31 2.007 . . . . 0.46 111.295 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.69 24.56 72.72 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.86 -0.686 . . . . 0.46 113.04 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.84 -171.7 16.37 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.101 -1.047 . . . . 0.41 113.484 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.23 147.91 46.42 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.536 0.569 . . . . 3.34 112.536 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 t -104.17 160.21 15.05 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.802 -0.814 . . . . 0.39 108.802 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.16 128.72 24.46 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.509 -0.314 . . . . 0.49 110.294 -178.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.442 HG23 HG23 ' A' ' 50' ' ' THR . 2.5 m -135.19 127.59 30.42 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.459 -0.496 . . . . 0.31 112.256 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -139.94 141.38 36.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.443 -0.577 . . . . 1.72 109.443 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.7 p -118.15 126.07 51.49 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.201 -0.666 . . . . 1.04 109.201 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.5 ' HA ' ' HB2' ' A' ' 69' ' ' ALA . 46.2 p90 -122.81 147.02 47.01 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.312 0.577 . . . . 0.88 111.703 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 65.8 m -111.76 125.74 54.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.268 -0.878 . . . . 0.25 109.599 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 45' ' ' ASN . 50.0 mm -53.27 128.28 12.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.648 0.261 . . . . 0.24 110.835 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.5 t70 73.89 18.48 3.31 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.289 -0.869 . . . . 1.1 110.22 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.523 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 40.7 tptt -137.86 150.51 47.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.214 -0.903 . . . . 1.59 110.021 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' LYS . 7.9 pt-20 -77.35 151.02 35.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.959 -0.756 . . . . 2.55 108.959 177.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 63' ' ' PHE . . . -137.42 152.64 49.83 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.025 0.379 . . . . 0.31 112.025 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.57 113.6 21.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.276 -0.875 . . . . 1.95 109.0 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.61 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.4 mtt -120.41 168.74 10.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.486 0.66 . . . . 0.26 112.606 -178.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.731 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.4 tt0 -154.75 140.23 17.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.043 -0.981 . . . . 1.47 109.095 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.621 HG23 ' HE1' ' A' ' 79' ' ' PHE . 21.1 p -95.0 169.95 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.97 0.414 . . . . 0.36 110.403 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.4 mtt -66.91 -13.24 61.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 1.05 110.143 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.02 -7.54 73.77 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.781 -0.645 . . . . 0.48 111.675 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.93 53.68 2.64 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.095 -0.574 . . . . 0.48 111.943 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.731 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 10.6 mtp180 -118.12 123.82 46.51 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.302 -0.159 . . . . 0.85 111.057 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -96.55 122.3 39.31 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.445 -0.576 . . . . 1.76 109.445 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.621 ' HE1' HG23 ' A' ' 73' ' ' THR . 45.2 p90 -155.43 168.87 25.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.045 0.45 . . . . 1.17 111.345 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 69' ' ' ALA . 2.1 mtpp -132.62 136.85 46.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.711 -0.677 . . . . 2.55 109.29 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -143.94 160.41 40.88 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.282 -0.417 . . . . 0.24 111.438 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -97.45 131.13 44.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.875 -0.602 . . . . 0.33 109.752 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.0 t -115.04 142.96 25.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.973 -0.38 . . . . 0.19 109.973 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' CG ' HG13 ' A' ' 91' ' ' VAL . 21.7 pttt -133.99 175.75 9.19 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.065 -0.346 . . . . 1.14 110.065 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mtt -127.73 118.08 23.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.579 -0.526 . . . . 0.41 109.579 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.529 ' HG3' HG11 ' A' ' 91' ' ' VAL . 1.4 mt-10 -125.2 104.4 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.403 -0.362 . . . . 2.67 110.772 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.35 37.42 47.81 Favored Glycine 0 CA--C 1.516 0.105 0 C-N-CA 121.219 -0.515 . . . . 0.46 112.475 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.25 27.8 71.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.504 -0.855 . . . . 0.36 111.774 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -131.07 127.12 37.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.151 -0.314 . . . . 1.76 110.151 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.48 HG21 ' CE1' ' A' ' 63' ' ' PHE . 1.3 mt -80.38 110.15 15.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.719 -0.474 . . . . 0.22 109.719 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.529 HG11 ' HG3' ' A' ' 86' ' ' GLU . 3.2 p -115.98 134.96 57.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.196 0.522 . . . . 0.25 111.003 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.88 142.89 45.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.711 -0.677 . . . . 0.25 110.421 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -102.76 123.63 46.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.173 0.511 . . . . 1.19 111.709 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.514 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 80.3 m-85 -138.88 157.2 72.07 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.144 -0.935 . . . . 1.27 109.66 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.37 112.54 2.38 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 121.554 1.503 . . . . 0.36 111.259 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.566 ' O ' ' HA ' ' A' ' 114' ' ' SER . 61.6 t30 65.52 12.01 7.86 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.021 -0.536 . . . . 1.5 111.356 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.7 t80 -134.3 123.02 23.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.437 -0.579 . . . . 1.31 109.437 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.7 t60 -121.01 117.13 26.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.8 -0.636 . . . . 1.09 109.34 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 91' ' ' VAL . 4.5 t60 -112.24 128.42 56.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.684 -0.235 . . . . 0.67 110.823 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.0 p -134.83 130.3 35.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.391 -0.368 . . . . 0.31 110.368 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.83 136.59 53.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.463 -0.335 . . . . 0.26 110.328 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -154.52 175.25 13.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.942 0.401 . . . . 1.38 110.841 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 32.6 mm -117.55 116.99 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.37 109.607 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.8 m -128.96 108.01 10.07 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.994 -0.548 . . . . 1.37 110.546 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.9 28.83 55.95 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.792 -0.64 . . . . 0.96 112.042 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.45 22.15 73.59 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.856 -0.688 . . . . 0.5 112.284 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -133.62 151.02 51.6 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.005 0.431 . . . . 1.22 110.409 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.478 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.6 tm? -89.96 121.16 31.8 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.163 -0.926 . . . . 0.82 109.841 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.3 p -122.66 122.05 65.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.075 0.464 . . . . 0.33 109.981 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -108.25 134.45 51.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 1.69 110.12 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.11 130.45 72.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.738 -0.664 . . . . 0.37 109.94 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 15.1 m -126.44 115.49 19.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.101 -0.499 . . . . 0.37 110.406 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.598 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -101.24 130.06 47.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.249 -0.432 . . . . 0.27 110.844 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 73.2 m -145.71 114.68 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.788 -0.449 . . . . 1.43 109.788 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 m 59.5 25.84 14.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.661 -0.699 . . . . 0.63 111.475 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 99.18 -10.45 61.7 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.554 -0.831 . . . . 0.46 112.685 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 113' ' ' THR . 57.8 t -86.02 116.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.828 0.314 . . . . 0.53 110.402 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.598 HG22 HG23 ' A' ' 113' ' ' THR . 92.6 t -94.87 105.21 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.252 -0.431 . . . . 0.97 110.618 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -94.71 131.06 40.94 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.708 -0.678 . . . . 1.22 109.215 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -130.02 146.84 51.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.933 0.397 . . . . 1.17 111.905 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 14.1 ptt-85 -144.98 136.94 25.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.532 -0.758 . . . . 2.48 109.917 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 10' ' ' SER . 58.2 m -114.07 121.37 43.61 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.778 -0.646 . . . . 0.43 110.332 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 18.5 m -118.46 132.24 56.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.975 0.417 . . . . 0.38 110.515 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 18.4 pttm -76.49 159.04 30.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 1.45 110.44 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.18 129.11 46.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 1.45 111.494 -178.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -146.43 167.51 7.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.321 -0.854 . . . . 0.35 109.099 179.117 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.098 -0.953 . . . . 1.27 109.484 178.751 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 CA--C 1.528 0.115 0 N-CA-C 111.914 0.338 . . . . 1.24 111.914 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.504 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -61.47 140.79 58.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.513 0.56 . . . . 0.26 112.513 -178.839 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.425 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 135.5 164.65 10.45 Favored Glycine 0 N--CA 1.438 -1.205 0 C-N-CA 120.533 -0.841 . . . . 0.21 112.932 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 140.41 29.75 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.125 -1.065 . . . . 1.54 108.125 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.654 ' CE2' ' HG2' ' A' ' 125' ' ' LYS . 88.7 m-85 -126.52 147.17 49.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.681 0.277 . . . . 1.29 111.156 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -130.75 152.81 49.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.447 -0.342 . . . . 1.41 110.111 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 6.9 t80 -47.54 116.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.111 0.882 . . . . 1.86 111.816 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -114.77 -40.53 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 1.46 110.407 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.55 169.48 24.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.374 -0.376 . . . . 1.01 111.06 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -156.89 152.47 26.8 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.065 -0.516 . . . . 1.72 110.03 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -148.38 136.78 21.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.003 -0.544 . . . . 1.44 109.772 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 63.54 34.57 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.996 0.81 . . . . 0.84 111.068 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -63.36 -59.25 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.39 111.825 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.509 ' HA ' HG22 ' A' ' 18' ' ' VAL . 25.8 m-20 -60.4 -38.6 84.49 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.328 -0.396 . . . . 1.3 111.565 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -40.81 97.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 1.46 110.137 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.494 ' O ' HG12 ' A' ' 21' ' ' ILE . 57.5 t80 -66.19 -53.07 41.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.612 -0.722 . . . . 1.24 111.053 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.509 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.3 m -62.23 -37.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.973 -0.558 . . . . 0.26 111.778 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER -74.45 -26.99 60.39 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.775 -0.37 . . . . 1.18 111.585 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -76.56 -44.57 34.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.385 -0.371 . . . . 0.88 111.217 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.4 pt -76.19 -13.27 14.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.399 -0.364 . . . . 0.39 111.483 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.62 32.42 30.49 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.95 -0.643 . . . . 0.39 112.892 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.709 HD23 HG12 ' A' ' 28' ' ' ILE . 16.6 tp -67.37 134.66 93.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.591 -0.522 . . . . 0.31 109.591 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.43 ' O ' HG13 ' A' ' 28' ' ' ILE . 27.5 Cg_endo -63.61 139.04 67.72 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.052 1.835 . . . . 0.37 111.528 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.99 -37.48 64.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.926 -0.579 . . . . 0.39 111.485 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 30' ' ' MET . 18.5 t70 -56.94 -40.32 76.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.713 -0.676 . . . . 2.03 111.154 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -87.48 -30.0 20.96 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.474 -0.33 . . . . 0.94 110.441 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.709 HG12 HD23 ' A' ' 23' ' ' LEU . 61.8 mt -60.19 -54.95 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 0.37 109.886 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 43.0 mm-40 -65.31 -33.94 77.15 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.139 -0.937 . . . . 1.73 110.103 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.528 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.3 tpt -65.42 -40.04 92.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.196 -0.911 . . . . 0.97 111.371 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.5 25.68 22.31 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 115.419 0.927 . . . . 0.51 115.419 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.9 ptp180 -104.79 128.6 52.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 118.141 0.971 . . . . 2.27 111.05 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.17 21.5 12.57 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.301 -0.863 . . . . 1.78 110.814 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.1 m -89.96 141.64 28.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.782 -0.645 . . . . 1.16 110.101 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' HG2' ' HG3' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -72.64 85.62 1.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.176 0.512 . . . . 2.49 111.894 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mm -83.27 126.31 40.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.777 -0.647 . . . . 0.66 109.972 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 2.8 t -98.0 130.56 46.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.777 -0.453 . . . . 0.37 109.777 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.753 ' HA ' ' O ' ' A' ' 50' ' ' THR . 24.8 m -118.86 104.82 10.9 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 123.487 0.492 . . . . 0.33 110.024 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -94.22 113.98 26.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.15 -0.315 . . . . 1.39 110.15 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 48' ' ' THR . 60.2 t -107.46 121.92 61.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.543 -0.753 . . . . 0.22 111.985 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.64 134.36 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.433 -0.951 . . . . 0.95 108.433 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.504 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 6.3 tt0 -99.72 112.36 24.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.216 0.531 . . . . 2.06 111.128 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -126.79 78.86 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.731 -0.668 . . . . 1.73 109.891 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.36 -90.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.534 -0.626 . . . . 0.4 111.534 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.75 12.39 5.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.375 0.607 . . . . 0.43 109.885 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 36.7 t70 -106.08 110.91 23.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.095 -0.957 . . . . 1.36 109.61 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.402 ' CE2' ' HG3' ' A' ' 42' ' ' GLN . 77.7 m-85 -106.67 134.17 50.22 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.056 0.455 . . . . 1.0 110.086 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 43.3 p -95.81 135.3 37.7 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.904 -0.589 . . . . 0.56 111.03 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -115.99 100.95 8.33 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.821 -0.807 . . . . 0.42 108.821 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.753 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.1 m -105.89 117.89 35.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.56 -0.746 . . . . 0.35 110.067 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -105.62 116.76 32.49 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.945 -0.391 . . . . 1.62 109.945 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.511 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 83.2 m-70 -106.56 123.45 48.12 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.034 0.445 . . . . 0.37 109.891 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.528 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 5.9 t80 -99.39 124.73 43.66 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 115.355 -0.838 . . . . 1.23 110.748 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 28.0 Cg_endo -61.77 115.27 2.69 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.464 2.11 . . . . 0.46 112.188 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.89 22.77 75.82 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.742 -0.663 . . . . 0.46 113.126 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.14 -165.69 11.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.155 -1.021 . . . . 0.41 113.303 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.421 ' NH1' HG23 ' A' ' 59' ' ' THR . 0.2 OUTLIER -70.32 147.21 49.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.061 0.458 . . . . 3.34 111.9 -178.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.1 t -102.54 157.31 17.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.008 -0.542 . . . . 0.39 109.771 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.421 HG23 ' NH1' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -135.05 132.42 38.21 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.741 -0.466 . . . . 0.49 109.741 -179.575 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -141.27 138.42 33.21 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.016 -0.427 . . . . 0.31 111.823 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -150.33 156.53 41.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 1.72 109.373 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.7 p -130.83 132.26 45.11 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.55 -0.537 . . . . 1.04 109.55 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -132.52 138.53 47.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.515 0.674 . . . . 0.88 112.321 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.509 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 57.5 m -104.82 130.47 52.93 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.167 -0.924 . . . . 0.25 108.806 178.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mm -56.11 125.98 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.445 -0.343 . . . . 0.24 111.121 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t0 74.52 22.39 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.117 0.886 . . . . 1.1 109.944 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.509 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 42.9 tptt -138.22 136.87 36.99 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.425 -0.807 . . . . 1.59 110.675 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -66.95 138.05 56.98 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.48 -0.563 . . . . 2.55 109.48 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.07 154.4 47.49 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.711 0.634 . . . . 0.31 112.711 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.29 118.11 26.5 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.12 -0.945 . . . . 1.95 108.606 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.601 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 10.3 mtt -123.14 169.6 11.06 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.483 0.658 . . . . 0.26 111.892 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.696 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 22.6 tt0 -153.67 138.48 17.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.704 -1.135 . . . . 1.47 108.802 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.662 HG23 ' HE1' ' A' ' 79' ' ' PHE . 32.3 p -89.65 171.24 9.81 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.362 -0.607 . . . . 0.36 109.362 178.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.4 ttm -76.68 -3.78 39.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.032 0.444 . . . . 1.05 110.27 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.34 -6.7 62.62 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.849 -0.9 . . . . 0.48 110.849 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.97 26.97 9.83 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.891 -0.671 . . . . 0.48 113.297 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.696 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 15.4 mtp180 -97.05 120.63 37.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.291 0.546 . . . . 0.85 110.963 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.92 129.46 46.78 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.704 -0.85 . . . . 1.76 108.704 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.662 ' HE1' HG23 ' A' ' 73' ' ' THR . 35.3 p90 -158.66 176.79 11.94 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.911 0.337 . . . . 1.17 111.911 -177.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.26 137.65 50.11 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.427 -0.583 . . . . 2.55 109.427 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.6 161.65 42.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.567 -0.288 . . . . 0.24 110.935 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.76 140.42 33.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.933 0.397 . . . . 0.33 110.657 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.57 135.18 64.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.435 . . . . 0.19 109.841 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.425 ' CG ' HG13 ' A' ' 91' ' ' VAL . 19.4 pttt -127.52 177.62 6.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.844 -0.428 . . . . 1.14 109.844 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.7 mtt -129.07 141.29 51.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.692 0.282 . . . . 0.41 110.757 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.48 104.08 6.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.856 -0.611 . . . . 2.67 110.585 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.14 34.95 90.72 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.176 -0.535 . . . . 0.46 113.311 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.43 15.11 66.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.594 -0.812 . . . . 0.36 112.54 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.443 ' HD2' ' CD ' ' A' ' 102' ' ' GLU . 2.8 mtmp? -120.52 125.2 47.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.961 -0.755 . . . . 1.76 108.961 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 100' ' ' THR . 2.3 mt -80.14 119.77 30.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 116.108 -0.496 . . . . 0.22 111.55 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG13 ' CG ' ' A' ' 84' ' ' LYS . 6.6 p -120.33 129.2 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.285 0.564 . . . . 0.25 110.951 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.59 141.67 36.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.795 -0.639 . . . . 0.25 110.219 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -96.94 122.58 40.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.073 0.463 . . . . 1.19 111.488 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 71.1 m-85 -146.11 155.05 51.0 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.3 -0.864 . . . . 1.27 109.721 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -66.94 111.56 2.23 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.017 1.811 . . . . 0.36 111.401 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.69 ' O ' ' HA ' ' A' ' 114' ' ' SER . 3.0 t-20 63.04 11.28 5.05 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.922 -0.581 . . . . 1.5 111.866 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.554 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.2 t80 -125.9 127.42 45.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.95 -0.759 . . . . 1.31 108.95 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.465 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.3 t60 -126.57 109.45 12.14 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.921 -0.581 . . . . 1.09 109.892 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -105.32 119.1 38.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.492 -0.322 . . . . 0.67 110.367 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 26.5 p -126.11 129.65 49.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.433 -0.348 . . . . 0.31 110.646 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.68 135.65 54.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.123 -0.49 . . . . 0.26 110.282 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.443 ' CD ' ' HD2' ' A' ' 89' ' ' LYS . 2.8 pt-20 -151.92 171.18 18.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.952 0.406 . . . . 1.38 110.763 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.5 mm -108.43 122.7 63.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.379 -0.828 . . . . 0.37 109.179 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.3 m -136.0 99.63 4.2 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.199 0.523 . . . . 1.37 110.351 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.39 35.88 40.85 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.523 -0.762 . . . . 0.96 111.68 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.37 30.21 71.49 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.251 -0.739 . . . . 0.5 111.251 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -135.08 146.79 49.25 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.758 0.314 . . . . 1.22 110.713 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.57 HD12 ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -92.37 113.71 26.06 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.054 -0.721 . . . . 0.82 109.054 179.211 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 p -113.99 112.37 39.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.45 -0.574 . . . . 0.33 109.45 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.57 ' HG3' HD12 ' A' ' 108' ' ' LEU . 23.3 mt-10 -103.04 131.96 49.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.593 -0.731 . . . . 1.69 110.735 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.496 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.6 mp -115.36 127.39 72.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.445 -0.798 . . . . 0.37 109.276 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 13.4 m -125.2 106.1 9.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.262 -0.427 . . . . 0.37 110.553 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.554 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -94.13 137.07 33.74 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.149 -0.478 . . . . 0.27 110.33 179.475 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.69 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 60.3 p -150.15 113.48 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.27 0.356 . . . . 1.43 110.821 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.1 m 54.87 34.0 21.12 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.649 -0.705 . . . . 0.63 112.362 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.43 -31.7 8.34 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.73 -0.748 . . . . 0.46 113.214 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.01 126.34 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.85 0.325 . . . . 0.53 110.417 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.2 p -108.51 107.38 22.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.569 0.699 . . . . 0.97 111.164 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.417 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 30.9 t80 -89.1 135.85 33.34 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.487 -0.779 . . . . 1.22 109.842 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.496 ' HG2' HG13 ' A' ' 111' ' ' ILE . 15.5 mtpt -133.03 139.69 47.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.523 -0.308 . . . . 1.17 110.762 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.31 130.89 17.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.119 0.485 . . . . 2.48 110.569 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.7 m -106.01 134.95 48.32 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.703 -0.681 . . . . 0.43 109.76 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.2 m -124.62 137.68 54.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.002 0.43 . . . . 0.38 110.702 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 64.8 pttt -78.26 155.63 30.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.728 -0.669 . . . . 1.45 110.777 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.654 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 123.1 43.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.187 0.518 . . . . 1.45 110.393 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.561 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -141.11 168.84 15.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.547 -0.751 . . . . 0.35 109.163 179.176 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.254 -0.879 . . . . 1.27 109.531 178.253 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 . . . . . 0 CA--C 1.527 0.064 0 N-CA-C 111.466 0.172 . . . . 1.24 111.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.504 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.6 m -60.56 144.58 51.25 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.061 0.458 . . . . 0.26 111.916 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.491 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 128.89 175.71 14.16 Favored Glycine 0 N--CA 1.438 -1.191 0 C-N-CA 120.724 -0.75 . . . . 0.21 112.045 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -99.95 142.26 31.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.858 -0.793 . . . . 1.54 108.858 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.561 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 98.5 m-85 -123.96 150.36 44.86 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.136 -0.32 . . . . 1.29 110.136 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.431 ' HB2' HD11 ' A' ' 126' ' ' ILE . 1.0 OUTLIER -133.52 147.62 51.61 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.343 0.402 . . . . 1.41 110.347 179.274 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 3.4 t80 -51.58 114.84 1.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.061 0.85 . . . . 1.86 110.743 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -105.46 -53.36 2.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.978 0.418 . . . . 1.46 110.402 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m -154.53 160.6 41.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.13 -0.486 . . . . 1.01 110.83 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' A' ' 14' ' ' TYR . 3.9 p-10 -147.24 149.59 33.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.154 0.502 . . . . 1.72 110.846 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -136.01 142.65 44.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.973 -0.558 . . . . 1.44 110.474 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.04 37.61 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.199 -0.91 . . . . 0.84 111.641 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.505 ' HB2' ' OD2' ' A' ' 11' ' ' ASP . 63.0 t80 -64.42 -61.71 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.712 -0.222 . . . . 1.39 111.337 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.03 -36.65 70.71 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.933 0.397 . . . . 1.3 110.806 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.96 -46.23 78.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.903 -0.59 . . . . 1.46 110.578 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.504 ' O ' HG12 ' A' ' 21' ' ' ILE . 48.7 t80 -64.93 -52.97 53.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.003 -0.544 . . . . 1.24 111.518 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 14' ' ' TYR . 34.5 m -61.47 -35.24 65.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.24 0.459 . . . . 0.26 112.24 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.62 -25.23 49.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.932 0.396 . . . . 1.18 110.619 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -78.49 -45.1 22.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.843 -0.617 . . . . 0.88 111.671 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 17' ' ' PHE . 39.2 pt -75.11 -17.62 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.455 -0.339 . . . . 0.39 111.547 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.75 29.33 16.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.264 -0.97 . . . . 0.39 112.686 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.762 HD12 ' HD2' ' A' ' 24' ' ' PRO . 26.4 tp -64.71 137.37 97.12 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.554 -0.536 . . . . 0.31 109.554 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.762 ' HD2' HD12 ' A' ' 23' ' ' LEU . 26.6 Cg_endo -63.14 136.22 54.94 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.248 1.965 . . . . 0.37 111.976 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.04 -39.09 65.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.661 -0.7 . . . . 0.39 111.427 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.3 -45.97 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.09 -0.959 . . . . 2.03 111.791 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -87.99 -23.13 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.871 -0.332 . . . . 0.94 111.679 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.648 HG12 HD23 ' A' ' 23' ' ' LEU . 19.5 mt -59.4 -57.07 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 123.258 0.349 . . . . 0.37 111.263 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 25.9 mt-10 -72.84 -31.2 64.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.076 -0.511 . . . . 1.73 110.845 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.68 -29.48 66.93 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.976 -0.556 . . . . 0.97 111.189 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.04 27.26 11.09 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.859 -0.686 . . . . 0.51 112.827 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 31.3 ptt180 -105.78 135.38 47.31 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.24 -0.282 . . . . 2.27 110.24 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.27 22.44 12.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.813 -0.63 . . . . 1.78 110.709 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 36' ' ' ILE . 25.6 p -89.67 160.9 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.685 -0.688 . . . . 1.16 110.562 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.91 98.84 11.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.386 0.613 . . . . 2.49 111.862 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.519 HD11 ' SG ' ' A' ' 34' ' ' CYS . 24.6 mm -95.46 124.97 48.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.809 -0.632 . . . . 0.66 110.43 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.6 t -99.5 129.87 49.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.808 -0.441 . . . . 0.37 109.808 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.757 ' HA ' ' O ' ' A' ' 50' ' ' THR . 7.4 m -114.53 108.76 17.28 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.422 -0.354 . . . . 0.33 110.451 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -96.62 117.19 30.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 110.012 -0.366 . . . . 1.39 110.012 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 48' ' ' THR . 78.0 t -112.0 122.41 66.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.22 110.85 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.462 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 94.4 t -110.08 132.31 58.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.155 -0.683 . . . . 0.95 109.155 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.504 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 4.3 tp-100 -82.42 116.01 21.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.136 0.421 . . . . 2.06 112.136 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 84.9 m-20 -129.45 70.13 1.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.976 -0.556 . . . . 1.73 109.732 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.04 -92.41 0.14 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.006 -0.616 . . . . 0.4 111.817 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.56 0.23 10.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.236 0.541 . . . . 0.43 109.711 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 29.7 t70 -100.89 108.49 20.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.696 -0.684 . . . . 1.36 109.908 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -103.28 130.05 50.43 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.709 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.9 OUTLIER -92.28 125.33 36.9 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.924 -0.58 . . . . 0.56 110.214 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -110.31 103.13 11.76 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.478 -0.564 . . . . 0.42 109.478 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.757 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.9 m -103.85 132.61 49.94 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.198 -0.455 . . . . 0.35 110.813 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -115.74 115.91 27.15 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.336 -0.616 . . . . 1.62 109.336 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.4 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 88.7 m-70 -103.77 126.06 50.65 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.077 0.465 . . . . 0.37 110.965 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.591 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 3.0 t80 -105.57 125.61 32.93 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 115.325 -0.852 . . . . 1.23 109.256 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.9 Cg_endo -61.94 112.85 1.63 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.345 2.03 . . . . 0.46 111.775 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.88 29.95 76.69 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.919 -0.582 . . . . 0.46 112.478 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.31 -166.74 12.67 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.022 -1.085 . . . . 0.41 113.826 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.89 152.53 31.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.615 -0.793 . . . . 3.34 111.218 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.2 t -119.53 158.13 26.93 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 120.8 0.333 . . . . 0.39 110.12 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.5 m -139.19 128.93 24.72 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.19 -0.459 . . . . 0.49 110.128 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 m -133.61 118.97 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.774 0.321 . . . . 0.31 111.466 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -122.4 146.07 47.7 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.202 0.525 . . . . 1.72 110.777 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 p -126.15 121.04 31.71 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.603 -0.726 . . . . 1.04 109.181 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.431 ' CE1' HG21 ' A' ' 90' ' ' ILE . 53.6 p90 -129.34 142.75 50.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.167 0.508 . . . . 0.88 111.693 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.497 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 76.2 m -108.45 127.39 53.87 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.369 -0.832 . . . . 0.25 108.967 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.8 mm -55.0 126.57 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.646 0.26 . . . . 0.24 110.985 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t0 75.11 22.56 1.75 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.199 0.937 . . . . 1.1 110.616 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.6 tptt -136.61 144.13 43.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.518 -0.765 . . . . 1.59 110.676 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.8 125.53 27.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.771 -0.826 . . . . 2.55 108.771 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.93 163.59 16.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.197 0.522 . . . . 0.31 112.332 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.28 122.18 38.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.924 -1.034 . . . . 1.95 108.561 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 11.3 mtt -126.31 167.45 15.47 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.515 0.674 . . . . 0.26 112.592 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.699 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 52.4 tt0 -156.39 141.08 16.96 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.467 -1.242 . . . . 1.47 108.705 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.607 HG23 ' HE1' ' A' ' 79' ' ' PHE . 22.6 p -87.46 -176.71 5.7 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.385 -0.598 . . . . 0.36 109.385 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.5 mtp -83.3 -3.88 57.89 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.995 -0.743 . . . . 1.05 108.995 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.8 -7.05 63.2 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 111.233 -0.747 . . . . 0.48 111.233 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.86 29.06 12.28 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.216 -0.516 . . . . 0.48 112.844 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.699 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 29.0 mtp180 -93.57 122.99 36.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.65 0.225 . . . . 0.85 110.792 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -98.75 124.17 43.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.79 0.328 . . . . 1.76 110.441 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.607 ' HE1' HG23 ' A' ' 73' ' ' THR . 39.3 p90 -155.29 173.35 16.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 1.17 111.216 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.72 143.74 50.96 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.32 -0.622 . . . . 2.55 109.32 179.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -155.38 162.09 40.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.686 0.279 . . . . 0.24 110.711 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.43 129.84 50.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.929 -0.397 . . . . 0.33 109.929 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.53 144.9 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.534 -0.303 . . . . 0.19 110.615 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.455 ' CG ' HG13 ' A' ' 91' ' ' VAL . 6.8 pttt -134.41 -179.23 5.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.156 -0.313 . . . . 1.14 110.156 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 mtt -131.03 130.53 43.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.716 -0.22 . . . . 0.41 110.695 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -121.32 93.15 3.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.403 -0.362 . . . . 2.67 110.617 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.37 50.08 65.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.983 -0.627 . . . . 0.46 113.107 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.63 17.75 78.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.858 -0.687 . . . . 0.36 113.209 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -122.84 119.51 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.866 -0.42 . . . . 1.76 109.866 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.431 HG21 ' CE1' ' A' ' 63' ' ' PHE . 1.8 mt -78.64 107.79 11.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.769 -0.456 . . . . 0.22 109.769 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.455 HG13 ' CG ' ' A' ' 84' ' ' LYS . 2.5 p -113.13 135.05 53.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.223 0.535 . . . . 0.25 110.997 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.45 145.41 44.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.705 -0.68 . . . . 0.25 109.772 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -103.08 124.05 47.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.385 . . . . 1.19 111.858 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 97' ' ' TYR . 89.4 m-85 -140.77 155.62 69.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.4 -0.818 . . . . 1.27 110.406 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.61 115.8 4.41 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.375 2.05 . . . . 0.36 111.831 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 114' ' ' SER . 56.1 t30 68.17 9.04 6.95 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.565 0.698 . . . . 1.5 110.806 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.1 t80 -136.39 125.62 24.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.92 -0.582 . . . . 1.31 109.803 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.566 ' O ' ' HA ' ' A' ' 112' ' ' SER . 10.0 t60 -121.11 123.48 42.43 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.816 -0.809 . . . . 1.09 108.816 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -123.56 119.27 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.972 0.415 . . . . 0.67 111.134 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.0 p -127.95 128.57 45.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.884 -0.598 . . . . 0.31 110.864 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.63 130.02 56.18 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.361 -0.607 . . . . 0.26 109.361 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -153.17 172.84 16.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.084 0.469 . . . . 1.38 111.25 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.9 mm -109.63 122.24 63.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.151 -0.931 . . . . 0.37 109.613 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.6 m -137.27 113.83 10.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.233 -0.44 . . . . 1.37 110.024 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.27 28.12 64.63 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.052 -0.819 . . . . 0.96 111.052 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.74 25.76 73.14 Favored Glycine 0 C--N 1.332 0.338 0 N-CA-C 111.655 -0.578 . . . . 0.5 111.655 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -135.69 153.36 51.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.888 0.375 . . . . 1.22 111.24 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 1.4 tm? -91.14 118.15 30.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.605 -0.725 . . . . 0.82 109.083 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.8 115.37 46.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.2 0.524 . . . . 0.33 110.395 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.431 ' HG3' ' CD1' ' A' ' 108' ' ' LEU . 62.6 mt-10 -101.57 125.54 48.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.891 -0.595 . . . . 1.69 109.922 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.444 HG13 ' HG2' ' A' ' 120' ' ' LYS . 5.1 mp -109.62 127.59 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.605 -0.725 . . . . 0.37 109.379 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 9.7 m -125.17 115.09 19.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.949 -0.569 . . . . 0.37 110.239 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.773 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -102.16 130.47 48.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.652 -0.249 . . . . 0.27 110.622 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 45.0 m -146.99 113.29 5.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 1.43 110.495 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.3 m 55.3 38.23 30.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.345 -0.843 . . . . 0.63 112.646 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.81 -22.34 39.82 Favored Glycine 0 C--N 1.328 0.134 0 C-N-CA 120.621 -0.799 . . . . 0.46 113.807 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.1 t -85.26 120.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.299 0.55 . . . . 0.53 110.727 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.773 HG22 HG23 ' A' ' 113' ' ' THR . 62.0 t -98.48 105.92 18.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.594 -0.73 . . . . 0.97 111.045 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -90.93 130.54 36.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.393 -0.821 . . . . 1.22 109.133 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.444 ' HG2' HG13 ' A' ' 111' ' ' ILE . 17.5 mtpt -130.81 124.37 31.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.087 0.47 . . . . 1.17 111.593 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -124.76 127.7 47.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.729 -0.669 . . . . 2.48 110.416 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.0 m -105.21 132.9 50.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.774 -0.648 . . . . 0.43 109.852 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -128.24 137.66 52.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.351 -0.386 . . . . 0.38 110.515 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 16.0 pttm -83.16 158.1 22.49 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.947 -0.57 . . . . 1.45 109.722 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.491 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -104.84 121.54 43.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.084 0.468 . . . . 1.45 110.581 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.431 HD11 ' HB2' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -132.53 165.95 30.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.628 -0.715 . . . . 0.35 109.316 179.445 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.69 -0.671 . . . . 1.27 109.703 178.842 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 C--O 1.226 -0.144 0 N-CA-C 112.044 0.387 . . . . 1.24 112.044 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.91 144.07 49.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.605 0.594 . . . . 0.26 112.605 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.518 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 124.21 174.58 14.13 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.353 -0.927 . . . . 0.21 113.316 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.9 145.8 25.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.874 -0.787 . . . . 1.54 108.874 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 91.1 m-85 -130.44 140.63 50.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.135 -0.32 . . . . 1.29 110.135 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -126.82 146.81 50.13 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.072 -0.513 . . . . 1.41 110.071 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -49.54 120.43 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.07 0.856 . . . . 1.86 112.183 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.29 -50.87 2.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.841 -0.618 . . . . 1.46 110.122 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -154.45 165.71 35.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 1.01 110.588 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.408 ' OD2' ' HB2' ' A' ' 14' ' ' TYR . 1.9 p-10 -158.83 169.17 24.96 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.835 -0.431 . . . . 1.72 109.835 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -152.36 140.92 20.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.496 -0.32 . . . . 1.44 110.855 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 61.65 30.3 18.49 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.128 -0.942 . . . . 0.84 112.564 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.492 ' O ' HG22 ' A' ' 18' ' ' VAL . 58.3 t80 -61.17 -58.74 7.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.526 0.203 . . . . 1.39 111.069 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -42.54 77.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.909 -0.587 . . . . 1.3 111.546 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -43.82 91.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.124 0.488 . . . . 1.46 110.673 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HB2' ' HB2' ' A' ' 119' ' ' TYR . 87.3 t80 -63.21 -55.51 24.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.453 -0.794 . . . . 1.24 111.301 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 14' ' ' TYR . 27.1 m -59.48 -37.09 68.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.0 -0.546 . . . . 0.26 111.994 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -74.14 -28.93 61.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.664 0.269 . . . . 1.18 110.871 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -77.45 -41.41 39.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.88 111.297 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.0 pt -75.61 -14.45 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.68 0.276 . . . . 0.39 111.55 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.03 31.3 12.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.423 -0.894 . . . . 0.39 113.078 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.649 HD23 HG12 ' A' ' 28' ' ' ILE . 19.2 tp -71.68 130.47 87.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.472 -0.566 . . . . 0.31 109.472 178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.564 ' HD2' HD12 ' A' ' 23' ' ' LEU . 32.2 Cg_endo -66.37 142.77 67.33 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.291 1.994 . . . . 0.37 111.726 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.9 -36.22 62.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.39 111.277 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 30' ' ' MET . 2.9 m-20 -54.73 -42.92 72.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.762 . . . . 2.03 111.156 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 8.1 mmmt -86.84 -30.34 21.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 0.94 110.78 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.649 HG12 HD23 ' A' ' 23' ' ' LEU . 42.7 mt -61.07 -56.48 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.37 110.446 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -64.42 -31.33 72.49 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.376 0.608 . . . . 1.73 110.596 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 9.1 tpt -66.66 -37.56 85.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.097 -0.956 . . . . 0.97 110.749 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.39 32.22 5.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.837 -0.697 . . . . 0.51 113.016 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -85.95 103.66 14.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.478 -0.425 . . . . 2.27 112.063 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m120 56.37 28.13 13.05 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.533 -0.758 . . . . 1.78 111.973 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.5 m -76.37 164.6 25.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.718 0.294 . . . . 1.16 110.752 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.8 77.03 2.74 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.103 0.477 . . . . 2.49 112.096 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mm -83.07 122.12 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.367 -0.379 . . . . 0.66 110.039 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.3 t -98.78 127.86 50.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 0.37 110.217 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.604 HG23 ' OE1' ' A' ' 51' ' ' GLN . 26.1 m -110.67 108.15 17.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.923 -0.581 . . . . 0.33 109.855 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 55.2 mt-10 -98.03 120.37 38.3 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.809 -0.356 . . . . 1.39 110.097 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.6 t -113.91 122.52 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.268 -0.424 . . . . 0.22 111.958 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -107.6 126.45 63.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.213 -1.032 . . . . 0.95 108.213 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -99.97 109.08 21.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.799 0.666 . . . . 2.06 112.799 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -126.09 74.98 1.48 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.097 1.427 . . . . 1.73 108.885 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.06 -111.68 3.38 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 113.446 -1.706 . . . . 0.4 112.04 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -103.04 0.55 32.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.99 0.424 . . . . 0.43 110.566 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 24.9 t70 -100.94 114.06 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.191 -0.459 . . . . 1.36 111.077 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -109.69 137.87 46.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.627 -0.715 . . . . 1.0 109.896 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 1.2 p -106.39 133.86 50.42 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.147 -0.479 . . . . 0.56 111.165 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.32 101.26 10.27 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.082 -0.71 . . . . 0.42 109.082 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.468 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 1.1 m -103.77 107.51 18.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.31 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.604 ' OE1' HG23 ' A' ' 38' ' ' THR . 6.8 mm100 -98.27 118.88 35.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.93 0.395 . . . . 1.62 110.321 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -105.09 123.85 48.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.494 0.664 . . . . 0.37 111.01 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.522 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.3 t80 -100.7 125.63 38.15 Favored Pre-proline 0 C--N 1.315 -0.897 0 CA-C-N 114.681 -1.145 . . . . 1.23 109.869 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.522 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 33.7 Cg_endo -64.54 115.44 3.2 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.472 2.115 . . . . 0.46 111.605 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.56 30.15 76.79 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.835 -0.697 . . . . 0.46 112.636 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.14 -166.95 12.74 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.717 -0.754 . . . . 0.41 112.767 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.9 147.38 35.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.361 0.601 . . . . 3.34 111.246 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 t -99.09 160.79 14.01 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.74 -0.663 . . . . 0.39 110.544 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.2 114.26 8.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.548 -0.296 . . . . 0.49 110.5 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -119.16 123.01 43.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.137 0.494 . . . . 0.31 111.444 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -122.57 133.27 54.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.963 -0.562 . . . . 1.72 110.074 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.7 p -113.19 122.86 48.78 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.104 -0.702 . . . . 1.04 109.104 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -133.59 135.24 44.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.777 0.798 . . . . 0.88 112.371 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 53.5 m -104.39 129.21 52.34 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.885 -1.052 . . . . 0.25 108.899 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.411 HG21 ' HB2' ' A' ' 85' ' ' MET . 45.9 mm -54.27 128.03 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.857 0.361 . . . . 0.24 111.134 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 t70 74.66 17.6 2.93 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.045 -0.98 . . . . 1.1 110.55 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 34.9 tptt -130.57 143.78 50.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.733 -0.667 . . . . 1.59 110.424 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -74.89 125.03 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.807 -0.812 . . . . 2.55 108.807 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.52 158.17 21.99 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.222 0.452 . . . . 0.31 112.222 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -95.82 120.1 35.49 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.729 -1.212 . . . . 1.95 107.729 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.506 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 8.7 mtt -123.23 168.35 12.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.824 0.821 . . . . 0.26 112.595 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.617 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.5 tt0 -155.23 141.85 18.85 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.288 -1.324 . . . . 1.47 108.745 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.686 HG23 ' HE1' ' A' ' 79' ' ' PHE . 30.9 p -96.55 173.12 7.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.141 0.496 . . . . 0.36 110.379 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.6 mtt -76.36 -10.5 59.44 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.451 -0.574 . . . . 1.05 109.451 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.19 -18.0 65.73 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.621 -0.992 . . . . 0.48 110.621 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.99 22.75 7.77 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.773 -0.727 . . . . 0.48 112.642 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.617 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 6.9 mtp85 -92.39 119.63 32.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.064 0.432 . . . . 0.85 110.78 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.53 124.35 47.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.789 -0.819 . . . . 1.76 108.789 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.686 ' HE1' HG23 ' A' ' 73' ' ' THR . 51.4 p90 -158.93 178.11 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.709 0.29 . . . . 1.17 111.352 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -136.01 146.45 47.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.293 -0.412 . . . . 2.55 110.127 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.39 161.83 41.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.878 0.37 . . . . 0.24 111.491 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -99.21 131.12 45.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.33 109.747 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -114.43 137.86 46.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.801 -0.444 . . . . 0.19 109.801 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.482 ' CG ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -129.04 176.4 7.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.636 0.255 . . . . 1.14 110.407 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.411 ' HB2' HG21 ' A' ' 65' ' ' ILE . 1.3 mtt -130.3 126.09 36.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.147 -0.316 . . . . 0.41 110.147 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -124.41 104.19 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.866 0.365 . . . . 2.67 110.71 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.01 36.11 80.39 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.952 -0.567 . . . . 0.46 112.925 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.46 19.67 73.45 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.976 -0.63 . . . . 0.36 112.309 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -122.29 125.5 46.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.271 -0.641 . . . . 1.76 109.271 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mt -80.21 114.88 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.798 0.333 . . . . 0.22 110.239 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.482 HG13 ' CG ' ' A' ' 84' ' ' LYS . 3.0 p -116.65 128.06 74.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.302 0.572 . . . . 0.25 110.795 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.51 139.02 41.63 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.93 -0.577 . . . . 0.25 110.061 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -97.74 122.56 40.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.103 0.478 . . . . 1.19 111.381 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.42 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 68.7 m-85 -145.68 159.03 48.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.319 -0.855 . . . . 1.27 110.3 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -80.97 120.79 3.86 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.091 1.861 . . . . 0.36 111.077 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 114' ' ' SER . 1.0 OUTLIER 63.8 22.22 12.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.268 -0.424 . . . . 1.5 110.422 -178.774 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.3 t80 -148.45 127.54 12.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.869 -0.605 . . . . 1.31 110.277 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.584 ' O ' ' HA ' ' A' ' 112' ' ' SER . 34.1 t60 -126.75 115.33 19.22 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.578 -0.897 . . . . 1.09 108.578 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -117.9 113.43 21.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.575 0.226 . . . . 0.67 111.178 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.427 HG22 ' HB ' ' A' ' 91' ' ' VAL . 13.0 p -123.35 129.09 50.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.356 -0.384 . . . . 0.31 110.524 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.28 136.79 52.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.174 -0.466 . . . . 0.26 109.957 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -155.83 175.65 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.772 0.32 . . . . 1.38 111.004 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 107' ' ' LYS . 13.7 mm -112.36 110.86 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.777 -0.647 . . . . 0.37 109.39 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.8 m -121.84 117.56 26.82 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.676 -0.693 . . . . 1.37 109.714 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.12 30.96 76.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.672 -0.775 . . . . 0.96 111.435 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.75 18.64 78.89 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.253 -0.498 . . . . 0.5 111.904 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 103' ' ' ILE . 21.5 mttp -124.74 151.97 44.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 1.22 111.173 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.6 tm? -89.86 116.54 28.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.717 -0.846 . . . . 0.82 108.717 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.0 p -123.84 119.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 121.219 0.533 . . . . 0.33 110.293 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.48 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 39.3 mt-10 -108.26 125.88 52.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.363 -0.835 . . . . 1.69 110.15 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.98 122.07 59.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.79 -0.818 . . . . 0.37 108.79 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -120.87 111.32 17.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.987 -0.551 . . . . 0.37 110.681 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.684 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -99.57 136.47 39.46 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.308 -0.405 . . . . 0.27 110.728 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 75.7 m -149.9 112.55 4.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.302 -0.408 . . . . 1.43 110.987 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.3 m 59.23 32.42 21.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.74 . . . . 0.63 111.714 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 100.52 -28.58 15.17 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.47 -0.871 . . . . 0.46 113.394 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.46 125.69 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 117.193 0.496 . . . . 0.53 110.946 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.684 HG22 HG23 ' A' ' 113' ' ' THR . 58.8 t -101.12 108.95 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 0.97 111.055 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 32.4 t80 -96.76 128.61 43.87 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.697 -0.683 . . . . 1.22 109.37 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -123.91 143.76 50.18 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.854 0.359 . . . . 1.17 110.73 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 2.1 ptp180 -138.66 136.25 35.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.966 -0.561 . . . . 2.48 110.234 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.2 m -116.78 123.12 46.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.843 -0.617 . . . . 0.43 110.257 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.2 m -124.46 139.86 53.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.143 -0.48 . . . . 0.38 110.352 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 15.3 pttt -87.44 154.46 20.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.262 -0.426 . . . . 1.45 109.987 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.518 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -98.91 114.8 27.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 1.45 110.549 -179.592 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.37 156.02 32.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.656 -0.702 . . . . 0.35 109.66 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.192 -0.909 . . . . 1.27 109.796 179.847 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--O 1.226 -0.154 0 CA-C-O 120.356 0.122 . . . . 1.24 111.048 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.67 141.78 58.64 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.337 0.495 . . . . 0.26 112.337 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.26 172.26 13.0 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.77 -0.729 . . . . 0.21 112.622 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -94.77 143.97 26.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.921 -0.77 . . . . 1.54 108.921 178.165 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.488 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 92.3 m-85 -129.39 136.17 49.62 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.241 -0.436 . . . . 1.29 109.947 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -120.62 144.61 48.05 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.127 -0.488 . . . . 1.41 110.318 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 1.5 t80 -49.17 115.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.049 -0.978 . . . . 1.86 112.454 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.487 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.7 tp10 -110.3 -48.98 3.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.702 -0.681 . . . . 1.46 109.994 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.3 m -153.65 163.78 39.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.933 -0.576 . . . . 1.01 110.862 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 2.0 p-10 -148.44 162.14 40.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.528 -0.545 . . . . 1.72 109.528 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -149.09 137.99 21.29 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.101 -0.5 . . . . 1.44 110.592 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 62.86 44.04 6.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.022 -0.99 . . . . 0.84 112.017 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.59 -58.63 3.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.699 0.259 . . . . 1.39 111.699 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -58.62 -41.6 86.3 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.226 -0.443 . . . . 1.3 111.525 -178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -40.84 98.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.073 -0.512 . . . . 1.46 110.323 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.474 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 32.3 t80 -65.74 -55.45 17.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.119 -0.946 . . . . 1.24 111.217 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -59.64 -39.42 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.816 -0.629 . . . . 0.26 111.99 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -72.52 -25.28 61.33 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.917 -0.313 . . . . 1.18 111.375 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -81.7 -48.0 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.836 0.31 . . . . 0.88 111.836 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 17' ' ' PHE . 29.1 pt -68.88 -18.94 23.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 0.39 111.865 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.34 38.9 6.53 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.417 -0.896 . . . . 0.39 112.261 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.678 HD23 HG12 ' A' ' 28' ' ' ILE . 14.8 tp -77.57 130.49 73.82 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 110.413 -0.218 . . . . 0.31 110.413 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.405 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 36.0 Cg_endo -67.47 144.92 69.11 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.293 1.995 . . . . 0.37 111.865 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.92 -33.34 62.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.483 -0.326 . . . . 0.39 111.188 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.18 -41.49 79.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.592 -0.731 . . . . 2.03 111.293 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 73.2 mmtt -88.21 -33.11 18.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.496 -0.32 . . . . 0.94 110.443 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.678 HG12 HD23 ' A' ' 23' ' ' LEU . 51.5 mt -57.2 -59.06 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.96 -0.563 . . . . 0.37 110.757 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.08 -36.43 81.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.915 -0.584 . . . . 1.73 111.275 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.458 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 5.0 tpt -63.72 -38.23 90.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.553 -0.749 . . . . 0.97 110.716 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.43 35.08 5.03 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.106 -0.569 . . . . 0.51 113.057 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -91.33 108.25 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.974 0.387 . . . . 2.27 111.887 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.48 26.69 15.68 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.078 -0.964 . . . . 1.78 112.008 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.6 m -79.19 142.41 36.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.499 -0.556 . . . . 1.16 109.499 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -71.3 89.56 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.455 0.645 . . . . 2.49 111.844 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.3 mm -84.39 124.01 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.751 -0.659 . . . . 0.66 110.217 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.23 136.22 27.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.312 -0.625 . . . . 0.37 109.312 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.578 HG23 ' OE1' ' A' ' 51' ' ' GLN . 32.0 m -121.04 106.04 11.2 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.077 -0.51 . . . . 0.33 110.367 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 48.2 mt-10 -95.1 115.07 26.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.981 -0.377 . . . . 1.39 109.981 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 48' ' ' THR . 58.1 t -109.53 124.89 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.685 -0.689 . . . . 0.22 111.707 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.536 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 59.3 t -115.36 130.59 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.34 -0.985 . . . . 0.95 108.34 177.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -106.99 128.81 54.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.922 0.391 . . . . 2.06 111.73 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -141.9 91.53 2.36 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.831 -0.803 . . . . 1.73 108.831 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.17 -96.08 0.87 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.906 -0.664 . . . . 0.4 111.899 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.09 11.24 7.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.264 0.554 . . . . 0.43 110.135 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 28.2 t70 -106.96 121.57 44.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.85 -0.614 . . . . 1.36 110.394 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -115.34 133.12 56.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.049 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.536 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -98.45 141.49 31.24 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.237 -0.438 . . . . 0.56 111.119 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -120.61 101.78 7.98 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.182 -0.673 . . . . 0.42 109.182 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 1.2 m -103.94 109.71 21.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.944 -0.571 . . . . 0.35 110.256 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.578 ' OE1' HG23 ' A' ' 38' ' ' THR . 8.0 mm100 -101.12 119.71 39.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.838 0.351 . . . . 1.62 110.799 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -108.25 122.64 47.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.396 0.617 . . . . 0.37 111.156 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.458 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 2.4 t80 -97.19 121.0 60.09 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 114.418 -1.265 . . . . 1.23 110.073 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 31.1 Cg_endo -63.11 114.3 2.4 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.092 1.862 . . . . 0.46 111.908 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.23 23.26 77.85 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.967 -0.635 . . . . 0.46 112.553 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.01 -170.21 13.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.627 -0.796 . . . . 0.41 112.947 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.75 145.81 42.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 3.34 111.319 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.7 t -96.78 161.01 14.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.799 -0.637 . . . . 0.39 110.288 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -145.42 113.88 6.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.748 -0.206 . . . . 0.49 110.833 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 m -111.43 135.8 51.47 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.848 0.356 . . . . 0.31 111.913 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -133.05 154.64 50.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 1.72 109.972 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.9 p -135.1 123.77 23.68 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.058 -0.719 . . . . 1.04 109.058 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -132.27 137.9 47.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.484 0.659 . . . . 0.88 112.272 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 59.4 m -106.94 130.48 54.59 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.292 -0.867 . . . . 0.25 109.547 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.52 127.57 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 120.919 0.39 . . . . 0.24 111.192 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.0 t70 70.8 25.31 3.98 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.044 0.938 . . . . 1.1 110.419 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.499 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 22.7 tptt -137.35 143.95 42.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.64 -0.709 . . . . 1.59 110.485 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -75.23 128.08 34.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.287 -0.634 . . . . 2.55 109.287 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.34 158.18 25.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.346 -0.388 . . . . 0.31 111.754 -178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.26 117.45 30.82 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 107.502 -1.296 . . . . 1.95 107.502 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.484 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 7.1 mtt -120.27 167.51 12.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.57 0.7 . . . . 0.26 111.928 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.661 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 44.6 tt0 -157.01 140.3 15.62 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.487 -1.233 . . . . 1.47 109.037 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.711 HG23 ' HE1' ' A' ' 79' ' ' PHE . 18.9 p -96.12 174.09 7.08 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.949 -0.389 . . . . 0.36 109.949 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 mtt -78.3 -4.32 47.37 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.042 -0.725 . . . . 1.05 109.042 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.98 -2.79 83.59 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.857 -0.897 . . . . 0.48 110.857 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.16 26.47 30.95 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.356 -0.449 . . . . 0.48 112.045 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.661 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.6 mtp180 -100.64 121.42 41.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.615 0.245 . . . . 0.85 111.448 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 128.81 51.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.926 -0.768 . . . . 1.76 108.926 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.711 ' HE1' HG23 ' A' ' 73' ' ' THR . 40.4 p90 -160.18 177.36 10.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 1.17 111.45 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.65 141.45 48.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.481 . . . . 2.55 109.716 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.15 162.77 40.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.249 -0.432 . . . . 0.24 111.055 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.36 132.53 51.43 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.137 -0.483 . . . . 0.33 110.297 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.97 143.14 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.229 -0.441 . . . . 0.19 110.457 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -130.56 176.79 7.87 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.835 -0.432 . . . . 1.14 109.835 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.441 ' HE2' HG12 ' A' ' 90' ' ' ILE . 1.3 mtt -131.2 118.11 19.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.611 0.243 . . . . 0.41 110.545 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.527 ' HG3' HG11 ' A' ' 91' ' ' VAL . 1.5 mt-10 -119.64 112.1 18.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.506 -0.315 . . . . 2.67 110.834 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.48 31.91 77.78 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.038 -0.601 . . . . 0.46 112.649 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.4 28.16 62.25 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.749 -0.739 . . . . 0.36 111.812 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -128.72 128.63 44.42 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.87 -0.789 . . . . 1.76 108.87 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.441 HG12 ' HE2' ' A' ' 85' ' ' MET . 1.5 mt -80.45 110.4 15.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 120.807 -0.357 . . . . 0.22 110.829 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' A' ' 86' ' ' GLU . 2.7 p -113.78 126.0 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-O 121.165 0.507 . . . . 0.25 110.868 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -102.6 142.59 33.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.75 -0.659 . . . . 0.25 110.3 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -102.12 123.11 45.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.906 0.384 . . . . 1.19 111.099 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 75.0 m-85 -143.19 164.92 28.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.184 -0.916 . . . . 1.27 109.831 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -77.22 113.31 3.56 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 121.821 1.68 . . . . 0.36 111.024 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 114' ' ' SER . 66.2 t30 65.72 15.29 9.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.842 -0.617 . . . . 1.5 111.021 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.509 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.2 t80 -136.6 127.24 27.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.214 0.531 . . . . 1.31 109.884 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.488 ' O ' ' HA ' ' A' ' 112' ' ' SER . 1.2 t60 -126.75 116.28 20.68 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.544 -0.753 . . . . 1.09 109.124 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 91' ' ' VAL . 10.2 t-160 -113.13 117.77 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.184 0.303 . . . . 0.67 110.745 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 72.9 p -127.17 129.2 47.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.753 -0.462 . . . . 0.31 109.753 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.63 137.38 54.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.501 0.191 . . . . 0.26 111.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -153.63 173.95 15.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.872 0.368 . . . . 1.38 111.08 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.5 mm -111.77 111.18 35.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.113 -0.699 . . . . 0.37 109.113 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.8 m -124.57 115.55 21.01 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.049 -0.523 . . . . 1.37 110.354 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.58 25.77 74.49 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.532 -0.627 . . . . 0.96 111.532 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.04 22.31 71.72 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.54 -0.838 . . . . 0.5 111.73 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -131.86 141.41 49.39 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.381 -0.229 . . . . 1.22 110.381 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.402 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.1 tm? -83.25 113.85 20.97 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.908 -0.775 . . . . 0.82 108.908 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -119.68 112.69 38.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.605 0.717 . . . . 0.33 109.892 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -100.47 138.88 36.94 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.172 -0.922 . . . . 1.69 109.715 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.413 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.7 mp -118.0 126.38 74.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.69 -0.686 . . . . 0.37 110.241 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 73.2 m -121.53 111.15 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.601 0.563 . . . . 0.37 110.025 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.536 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -99.45 130.72 45.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.747 0.308 . . . . 0.27 111.311 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 66.5 m -145.69 111.46 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.996 -0.547 . . . . 1.43 110.052 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.2 m 59.87 30.59 20.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.829 -0.623 . . . . 0.63 110.892 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.4 -16.76 60.62 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.717 -0.754 . . . . 0.46 112.608 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.71 113.41 16.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.879 0.371 . . . . 0.53 110.302 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.536 HG22 HG23 ' A' ' 113' ' ' THR . 57.3 t -93.34 104.18 15.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.804 -0.635 . . . . 0.97 111.358 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -94.76 124.55 38.87 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.326 -0.852 . . . . 1.22 109.056 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.413 ' HG2' HG13 ' A' ' 111' ' ' ILE . 33.4 mtpt -125.03 140.67 52.7 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 112.025 0.38 . . . . 1.17 112.025 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.483 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 24.4 mtm180 -128.99 128.53 43.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.277 -0.419 . . . . 2.48 110.225 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 8.2 m -102.81 118.21 36.33 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.777 -0.823 . . . . 0.43 108.777 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 m -124.71 135.5 53.07 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.991 -0.374 . . . . 0.38 109.991 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.2 pttt -86.41 155.47 20.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.206 -0.452 . . . . 1.45 110.848 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.536 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -93.58 121.22 34.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.889 -0.596 . . . . 1.45 109.957 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.501 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -136.43 166.84 25.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.756 -0.461 . . . . 0.35 109.756 179.099 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.508 -0.552 . . . . 1.27 109.508 179.181 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 . . . . . 0 C--O 1.227 -0.129 0 N-CA-C 111.517 0.192 . . . . 1.24 111.517 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.38 150.84 48.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.5 -0.318 . . . . 0.26 111.436 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.435 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 124.35 172.11 13.55 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.74 -0.743 . . . . 0.21 112.41 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -97.74 145.74 26.06 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.822 -0.807 . . . . 1.54 108.822 178.324 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.583 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 82.1 m-85 -128.76 140.22 51.83 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.493 -0.321 . . . . 1.29 110.195 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -127.84 158.71 37.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.013 -0.54 . . . . 1.41 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -51.12 123.58 9.7 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.499 -0.773 . . . . 1.86 111.736 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.5 tp10 -123.69 -53.45 1.77 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.625 . . . . 1.46 109.908 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.452 ' HB2' ' HB ' ' A' ' 122' ' ' THR . 35.9 m -152.25 160.36 43.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.567 -0.742 . . . . 1.01 110.912 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -153.37 156.56 38.53 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.885 -0.413 . . . . 1.72 109.885 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -147.48 140.43 24.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.386 -0.37 . . . . 1.44 110.134 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 63.49 32.73 14.1 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.519 -0.764 . . . . 0.84 111.017 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -63.34 -56.39 16.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.422 -0.353 . . . . 1.39 110.944 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.38 -41.32 96.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 1.3 110.854 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.3 -45.98 89.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.62 . . . . 1.46 110.377 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.435 ' O ' HG12 ' A' ' 21' ' ' ILE . 82.3 t80 -61.77 -56.18 22.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.957 -1.019 . . . . 1.24 111.481 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -60.99 -36.97 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.26 112.161 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -74.26 -22.13 59.45 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.921 -0.312 . . . . 1.18 111.238 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -81.41 -45.06 16.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.425 -0.352 . . . . 0.88 110.831 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 17' ' ' PHE . 24.3 pt -75.21 -13.83 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.39 111.802 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.69 36.92 21.48 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.797 -0.716 . . . . 0.39 112.741 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.702 HD12 ' HD2' ' A' ' 24' ' ' PRO . 26.5 tp -71.29 135.24 84.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.16 -0.682 . . . . 0.31 109.16 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.702 ' HD2' HD12 ' A' ' 23' ' ' LEU . 27.6 Cg_endo -63.62 139.41 69.62 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.072 1.848 . . . . 0.37 111.49 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.66 -37.96 59.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.952 -0.567 . . . . 0.39 111.375 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 30' ' ' MET . 29.8 t70 -55.84 -39.57 71.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.252 -0.886 . . . . 2.03 111.482 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -88.93 -30.56 18.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.252 . . . . 0.94 110.561 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.576 HG12 HD23 ' A' ' 23' ' ' LEU . 53.8 mt -60.1 -57.88 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.414 0.626 . . . . 0.37 110.325 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.552 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 24.4 mm-40 -65.14 -30.5 71.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.167 -0.924 . . . . 1.73 110.953 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 7.7 tpt -71.26 -32.26 68.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.951 -0.568 . . . . 0.97 111.299 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.62 14.35 53.68 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 119.907 -1.14 . . . . 0.51 114.056 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.552 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.3 ptp180 -105.1 139.03 40.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.434 0.617 . . . . 2.27 110.282 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.43 19.12 11.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.399 0.618 . . . . 1.78 110.334 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.2 m -104.31 153.52 20.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.309 -0.859 . . . . 1.16 110.296 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -91.33 92.1 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.17 0.509 . . . . 2.49 111.94 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.28 111.38 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.629 -0.878 . . . . 0.66 108.629 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.407 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 2.3 t -83.95 139.1 18.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.233 -0.439 . . . . 0.37 110.686 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' A' ' 50' ' ' THR . 33.5 m -122.43 104.89 9.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.201 -0.454 . . . . 0.33 109.875 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.8 120.22 35.69 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.165 -0.309 . . . . 1.39 110.165 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.9 t -113.49 129.17 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 123.556 0.535 . . . . 0.22 111.404 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.443 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 47.4 t -118.22 130.14 73.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.313 -0.995 . . . . 0.95 108.313 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -94.08 112.68 24.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.959 0.409 . . . . 2.06 111.973 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -118.97 73.68 0.94 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.737 -0.838 . . . . 1.73 108.737 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.16 -99.37 0.78 Allowed Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.726 -0.95 . . . . 0.4 110.726 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -114.2 5.53 15.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.327 0.584 . . . . 0.43 109.49 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 33.4 t70 -104.09 111.57 24.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.287 -0.87 . . . . 1.36 110.004 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -109.15 134.64 51.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.11 -0.496 . . . . 1.0 109.983 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -100.48 120.83 40.59 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.108 -0.496 . . . . 0.56 111.68 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -101.38 102.97 13.89 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.209 -0.663 . . . . 0.42 109.209 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.61 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.3 m -105.71 114.38 28.51 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.274 -0.421 . . . . 0.35 111.186 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -100.45 118.7 37.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.056 -0.35 . . . . 1.62 110.056 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.407 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 97.9 m-70 -105.32 130.61 53.4 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.141 -0.481 . . . . 0.37 110.208 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -108.75 130.67 22.46 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.814 -0.63 . . . . 1.23 110.245 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.71 112.9 2.78 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 121.622 1.548 . . . . 0.46 111.624 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.47 27.71 72.23 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 115.903 -0.59 . . . . 0.46 113.103 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.95 -167.01 13.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.298 -0.953 . . . . 0.41 113.234 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.613 ' NH2' ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -73.69 148.62 42.53 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.117 0.484 . . . . 3.34 111.513 -179.225 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -102.11 154.07 19.34 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.066 -0.515 . . . . 0.39 109.677 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -132.65 115.21 15.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.444 -0.344 . . . . 0.49 110.303 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.9 m -124.06 128.02 48.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.952 0.406 . . . . 0.31 111.961 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.92 122.99 21.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.848 -0.615 . . . . 1.72 110.04 178.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.9 p -97.67 132.2 43.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.2 -0.909 . . . . 1.04 109.138 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' A' ' 90' ' ' ILE . 52.7 p90 -133.8 138.28 45.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.535 0.683 . . . . 0.88 111.457 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.536 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 95.0 m -107.02 127.2 53.25 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.024 -0.989 . . . . 0.25 108.561 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -53.47 128.89 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.02 0.438 . . . . 0.24 111.038 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 70.32 24.81 4.63 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.117 -0.947 . . . . 1.1 110.319 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.536 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.6 tptt -137.84 141.52 40.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.518 -0.765 . . . . 1.59 110.311 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -70.03 135.64 49.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.73 -0.841 . . . . 2.55 108.73 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.78 143.9 51.11 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.998 0.428 . . . . 0.31 111.796 -178.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.94 116.14 19.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.162 -1.051 . . . . 1.95 108.162 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.425 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 23.2 mtt -120.6 163.68 17.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.413 0.625 . . . . 0.26 112.173 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.625 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 10.0 tt0 -153.42 145.15 23.43 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.863 -1.162 . . . . 1.47 107.863 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.526 HG23 ' HE1' ' A' ' 79' ' ' PHE . 20.8 p -103.2 167.63 9.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.136 0.494 . . . . 0.36 110.788 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.613 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . 54.2 mtt -64.12 -14.13 52.72 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.394 -0.821 . . . . 1.05 110.353 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.34 -9.27 67.28 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.897 -0.592 . . . . 0.48 112.204 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.35 31.23 8.08 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.065 -0.588 . . . . 0.48 113.501 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.625 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 5.7 mtp85 -91.44 122.54 34.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.567 -0.373 . . . . 0.85 110.959 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -96.43 120.83 37.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.564 -0.902 . . . . 1.76 108.564 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.526 ' HE1' HG23 ' A' ' 73' ' ' THR . 35.6 p90 -164.02 176.21 9.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.063 0.458 . . . . 1.17 111.874 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -141.82 142.81 33.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.311 -0.859 . . . . 2.55 109.903 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.44 161.41 39.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.12 -0.491 . . . . 0.24 110.483 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -103.45 122.47 44.95 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.3 -0.63 . . . . 0.33 109.3 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.44 140.06 22.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.267 -0.424 . . . . 0.19 110.184 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.421 ' HG3' HG13 ' A' ' 91' ' ' VAL . 9.1 pttt -128.1 178.74 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.789 -0.448 . . . . 1.14 109.789 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.5 mtt -131.57 117.86 19.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.605 -0.27 . . . . 0.41 110.29 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -110.4 96.66 6.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.916 0.389 . . . . 2.67 110.933 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.45 43.45 92.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.251 -0.499 . . . . 0.46 112.918 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.48 23.06 68.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.36 112.786 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -124.28 122.21 37.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.491 -0.559 . . . . 1.76 109.491 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.445 HG21 ' CE1' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -77.94 108.95 11.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.745 -0.465 . . . . 0.22 109.745 179.349 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.421 HG13 ' HG3' ' A' ' 84' ' ' LYS . 4.2 p -115.7 133.67 61.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.043 -0.526 . . . . 0.25 110.982 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.51 141.54 48.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.805 -0.634 . . . . 0.25 109.654 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.92 122.45 44.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.321 0.581 . . . . 1.19 111.595 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 75.8 m-85 -139.48 157.63 70.06 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.093 -0.958 . . . . 1.27 110.288 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.51 112.41 1.93 Allowed 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 121.986 1.791 . . . . 0.36 111.747 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 114' ' ' SER . 0.7 OUTLIER 61.99 12.92 5.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.634 -0.712 . . . . 1.5 111.866 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' ' 113' ' ' THR . 7.1 t80 -130.28 126.3 36.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.431 -0.581 . . . . 1.31 109.431 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.501 ' O ' ' HA ' ' A' ' 112' ' ' SER . 34.6 t60 -122.99 115.18 21.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.998 -0.546 . . . . 1.09 109.599 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -113.01 115.76 28.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.661 0.267 . . . . 0.67 110.749 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.3 p -125.87 128.79 48.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.223 -0.444 . . . . 0.31 109.916 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.5 137.13 52.75 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 123.134 0.271 . . . . 0.26 110.455 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.59 -176.23 5.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.101 0.477 . . . . 1.38 111.096 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.479 HD13 HD22 ' A' ' 108' ' ' LEU . 23.2 mm -115.24 123.49 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.18 -0.918 . . . . 0.37 109.444 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.6 m -132.83 104.02 6.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.226 -0.443 . . . . 1.37 109.893 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.51 36.14 76.46 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.894 -0.594 . . . . 0.96 112.375 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.14 26.2 72.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.024 -0.607 . . . . 0.5 111.936 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -132.99 147.87 52.27 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.718 -0.241 . . . . 1.22 110.368 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.485 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -91.91 114.75 27.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.813 -0.81 . . . . 0.82 108.813 179.202 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -116.29 108.1 24.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.7 0.762 . . . . 0.33 109.719 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.466 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 6.6 mt-10 -96.03 119.0 33.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.163 -0.926 . . . . 1.69 109.705 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.33 129.98 50.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.816 -0.629 . . . . 0.37 109.716 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 72.9 m -128.71 111.2 12.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.076 -0.511 . . . . 0.37 110.141 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -96.59 131.46 43.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.145 -0.479 . . . . 0.27 110.48 179.041 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 43.7 p -140.63 111.68 7.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.667 -0.494 . . . . 1.43 109.667 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.4 m 59.18 26.61 15.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.89 -0.595 . . . . 0.63 111.443 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.63 -28.35 13.64 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.735 -0.745 . . . . 0.46 113.189 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 113' ' ' THR . 71.0 t -72.4 126.57 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.911 0.356 . . . . 0.53 111.096 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 113' ' ' THR . 61.3 t -100.1 105.4 17.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.868 -0.606 . . . . 0.97 110.756 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -91.84 127.31 37.25 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.81 -0.632 . . . . 1.22 109.41 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -121.58 130.13 53.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.955 0.407 . . . . 1.17 111.17 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.466 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -127.96 123.41 34.77 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.426 -0.583 . . . . 2.48 109.426 178.251 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 3.8 m -101.33 118.63 37.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.588 -0.733 . . . . 0.43 110.009 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 1.4 m -116.85 132.05 56.8 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.823 -0.626 . . . . 0.38 110.434 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 8.1 pttm -81.0 155.52 26.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.919 -0.582 . . . . 1.45 110.24 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.509 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -98.7 123.98 43.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 1.45 110.728 -179.556 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.571 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -139.98 167.59 18.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.714 -0.847 . . . . 0.35 108.714 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.55 -0.738 . . . . 1.27 111.026 179.84 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.567 0.223 . . . . 1.24 110.666 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -62.53 141.66 58.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.125 -0.489 . . . . 0.26 110.914 179.615 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.28 168.39 12.03 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 120.571 -0.823 . . . . 0.21 111.714 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.6 142.41 30.22 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.836 -0.801 . . . . 1.54 108.836 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 83.3 m-85 -128.63 140.7 51.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.557 -0.292 . . . . 1.29 110.756 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -124.49 158.07 33.75 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.249 -0.432 . . . . 1.41 110.68 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.91 135.68 23.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 1.86 111.388 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -137.37 -55.45 0.7 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.568 -0.742 . . . . 1.46 109.837 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.5 m -152.39 144.28 23.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.15 -0.477 . . . . 1.01 110.841 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.8 151.43 45.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 1.72 110.1 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.48 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 4.1 tt0 -135.33 147.5 49.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.478 -0.328 . . . . 1.44 110.609 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 58.48 45.04 17.08 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.573 -0.74 . . . . 0.84 110.923 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.702 ' OH ' ' HA ' ' A' ' 32' ' ' ARG . 1.9 t80 -64.48 -68.82 0.32 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.497 -0.774 . . . . 1.39 111.996 -178.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.463 ' HA ' HG22 ' A' ' 18' ' ' VAL . 13.0 m-20 -64.81 -35.57 81.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.338 -0.392 . . . . 1.3 111.251 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -60.4 -42.73 96.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.271 0.558 . . . . 1.46 110.768 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -67.68 -53.39 28.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.676 -0.693 . . . . 1.24 111.112 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.5 m -63.13 -35.22 70.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.022 -0.535 . . . . 0.26 111.803 -178.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -71.33 -28.72 64.29 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.821 0.344 . . . . 1.18 110.48 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -75.1 -46.62 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.88 111.022 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.4 pt -74.19 -9.27 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.39 111.576 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.02 32.55 48.76 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.884 -0.674 . . . . 0.39 112.645 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.693 HD23 HG12 ' A' ' 28' ' ' ILE . 20.1 tp -68.08 133.14 91.79 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.441 -0.577 . . . . 0.31 109.441 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' A' ' 23' ' ' LEU . 19.8 Cg_endo -61.69 136.61 63.49 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.125 1.883 . . . . 0.37 111.457 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.38 67.8 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.026 -0.534 . . . . 0.39 110.983 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.12 -42.98 86.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.522 -0.763 . . . . 2.03 110.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -86.87 -23.16 25.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.432 -0.349 . . . . 0.94 110.453 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.693 HG12 HD23 ' A' ' 23' ' ' LEU . 21.7 mt -62.37 -57.3 12.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.196 0 CA-C-O 120.907 0.384 . . . . 0.37 109.986 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.25 -28.47 68.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 1.73 110.209 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.9 tpt -68.46 -35.55 77.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.662 -0.699 . . . . 0.97 110.153 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.91 43.53 1.67 Allowed Glycine 0 N--CA 1.44 -1.092 0 C-N-CA 120.549 -0.834 . . . . 0.51 112.299 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.702 ' HA ' ' OH ' ' A' ' 14' ' ' TYR . 7.4 ptm180 -124.31 134.1 53.28 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.773 0.321 . . . . 2.27 110.335 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 63.67 27.52 14.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.371 -0.831 . . . . 1.78 110.408 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.4 m -97.53 140.03 32.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.116 -0.493 . . . . 1.16 110.885 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HG2' ' H ' ' A' ' 35' ' ' LYS . 22.4 pttt -72.77 85.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 2.49 110.997 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.3 mm -85.37 123.75 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.6 . . . . 0.66 110.019 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 t -100.78 128.43 52.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.272 -0.422 . . . . 0.37 110.077 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.7 m -110.03 105.79 15.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.156 -0.474 . . . . 0.33 109.857 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -100.64 114.81 28.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.778 0.323 . . . . 1.39 110.237 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' THR . 59.5 t -109.31 135.14 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 0.22 112.352 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -123.01 132.51 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.96 -0.756 . . . . 0.95 108.96 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 51.4 tt0 -91.43 115.27 27.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.028 0.442 . . . . 2.06 111.721 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -126.61 76.43 1.63 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.831 -0.622 . . . . 1.73 109.366 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.09 -102.76 1.28 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 110.649 -0.98 . . . . 0.4 110.649 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.67 6.46 12.42 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.217 -0.66 . . . . 0.43 109.217 177.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -102.43 110.36 22.28 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.121 -0.945 . . . . 1.36 109.057 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -106.49 130.86 54.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -95.23 129.1 42.48 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.048 -0.524 . . . . 0.56 111.713 -179.695 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.49 103.09 11.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.202 -0.666 . . . . 0.42 109.202 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.618 ' O ' ' HA ' ' A' ' 38' ' ' THR . 4.7 m -101.65 121.74 42.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.904 -0.589 . . . . 0.35 110.746 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -107.46 117.69 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.641 -0.503 . . . . 1.62 109.641 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -105.1 126.29 51.92 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.387 0.613 . . . . 0.37 111.307 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.46 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.3 t80 -106.06 122.31 42.74 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 114.745 -1.116 . . . . 1.23 109.79 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.5 Cg_endo -64.79 114.05 2.6 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.136 1.891 . . . . 0.46 112.175 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.58 28.82 72.94 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.861 -0.685 . . . . 0.46 112.526 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.97 -166.67 11.76 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.369 -0.919 . . . . 0.41 112.374 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.47 140.49 38.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 3.34 110.449 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -95.23 158.65 15.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.203 -0.453 . . . . 0.39 110.663 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.1 126.28 24.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.86 -0.609 . . . . 0.49 109.555 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 m -136.7 121.2 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.133 -0.354 . . . . 0.31 111.257 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.475 ' OD1' ' HA ' ' A' ' 71' ' ' MET . 38.0 m-80 -129.77 143.84 51.01 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.118 0.485 . . . . 1.72 110.96 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.7 p -115.81 128.7 56.03 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.383 -0.826 . . . . 1.04 109.297 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -131.32 140.11 49.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.101 0.477 . . . . 0.88 111.172 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 34.2 m -107.32 130.93 54.71 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.743 -0.662 . . . . 0.25 109.378 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.48 HG23 ' HA ' ' A' ' 84' ' ' LYS . 51.8 mm -54.1 125.46 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 116.36 -0.382 . . . . 0.24 111.29 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.17 29.36 3.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.359 1.064 . . . . 1.1 110.583 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 5.5 tppt? -138.15 151.95 48.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.752 -0.658 . . . . 1.59 111.231 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 59.2 mm-40 -72.57 130.84 41.53 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.62 -0.882 . . . . 2.55 108.62 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.428 ' HB3' ' HE3' ' A' ' 71' ' ' MET . . . -129.16 135.63 49.11 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.412 -0.515 . . . . 0.31 112.039 -179.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.5 117.23 15.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.348 -0.842 . . . . 1.95 109.152 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.475 ' HA ' ' OD1' ' A' ' 61' ' ' ASN . 31.0 mtt -119.65 165.99 13.76 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.597 0.962 . . . . 0.26 113.597 -178.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 28.6 tt0 -155.18 142.74 19.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.138 -0.937 . . . . 1.47 109.115 178.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.745 HG23 ' HE1' ' A' ' 79' ' ' PHE . 43.3 p -98.83 173.16 7.0 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.787 -0.449 . . . . 0.36 109.787 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 28.4 mtt -76.5 -12.53 60.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.199 -0.455 . . . . 1.05 110.287 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.09 -8.04 84.45 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.797 -0.716 . . . . 0.48 111.385 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.75 33.0 6.9 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.963 -0.637 . . . . 0.48 112.513 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.0 mtp180 -97.38 125.11 41.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.779 -0.368 . . . . 0.85 110.491 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.43 122.69 44.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.873 -0.788 . . . . 1.76 108.873 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.745 ' HE1' HG23 ' A' ' 73' ' ' THR . 41.9 p90 -163.78 -179.88 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.616 -0.72 . . . . 1.17 109.785 -177.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.73 154.49 40.61 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.873 -0.788 . . . . 2.55 108.873 176.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.94 164.33 39.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.173 0.511 . . . . 0.24 112.067 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.3 137.2 32.84 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.629 -0.714 . . . . 0.33 110.264 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.0 144.37 32.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.457 -0.571 . . . . 0.19 109.457 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.605 ' HG2' HG13 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -140.76 172.4 12.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.905 0.32 . . . . 1.14 110.915 179.431 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 mtt -120.57 122.71 41.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.642 -0.253 . . . . 0.41 110.627 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -120.36 96.8 5.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.895 0.379 . . . . 2.67 110.969 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.78 37.27 66.37 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 121.16 -0.543 . . . . 0.46 113.162 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.04 28.27 46.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.36 111.946 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -133.99 121.09 21.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.798 -0.445 . . . . 1.76 109.798 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.1 mt -79.51 110.64 15.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 110.003 -0.369 . . . . 0.22 110.003 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.605 HG13 ' HG2' ' A' ' 84' ' ' LYS . 3.7 p -114.1 132.55 62.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.228 0.537 . . . . 0.25 110.805 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.45 136.04 48.74 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.324 -0.853 . . . . 0.25 109.93 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -93.72 122.96 36.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.035 0.445 . . . . 1.19 111.741 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 97' ' ' TYR . 76.7 m-85 -143.88 153.12 57.04 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 1.27 110.572 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.15 115.34 4.11 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.194 1.929 . . . . 0.36 111.367 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 114' ' ' SER . 64.4 t30 69.39 16.17 8.32 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.385 0.612 . . . . 1.5 110.271 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.555 ' HA ' ' O ' ' A' ' 113' ' ' THR . 4.4 t80 -144.73 126.52 15.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 1.31 109.84 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.546 ' O ' ' HA ' ' A' ' 112' ' ' SER . 20.3 t60 -123.86 117.18 24.26 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.368 -0.605 . . . . 1.09 109.368 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -116.24 118.25 32.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.759 -0.201 . . . . 0.67 110.732 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.9 p -127.41 129.1 46.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.744 0.307 . . . . 0.31 111.113 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.75 131.58 56.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.44 -0.345 . . . . 0.26 110.109 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.24 175.36 10.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.042 0.448 . . . . 1.38 110.907 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.9 mm -124.21 111.6 29.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.506 -0.77 . . . . 0.37 109.574 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 m -132.31 106.7 8.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.213 -0.448 . . . . 1.37 110.394 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.12 27.82 29.94 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.949 -0.569 . . . . 0.96 111.837 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.92 30.6 72.33 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.817 -0.706 . . . . 0.5 111.445 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -138.31 149.86 46.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.054 0.454 . . . . 1.22 110.364 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.429 HD11 ' HG3' ' A' ' 110' ' ' GLU . 2.9 tm? -93.72 113.47 25.55 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.458 -0.792 . . . . 0.82 109.04 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -117.19 109.46 27.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.524 0.678 . . . . 0.33 109.72 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 108' ' ' LEU . 30.5 mt-10 -96.14 131.35 42.68 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.412 -0.813 . . . . 1.69 110.195 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.479 HG23 HG13 ' A' ' 118' ' ' VAL . 4.2 mp -112.02 124.03 68.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.002 -0.545 . . . . 0.37 109.706 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 19.5 m -122.12 109.9 15.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.933 -0.576 . . . . 0.37 109.735 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -99.52 134.17 42.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.31 -0.405 . . . . 0.27 111.107 -179.698 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 56.5 m -144.32 107.27 4.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.173 -0.467 . . . . 1.43 109.986 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.1 m 60.41 33.14 20.73 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.698 -0.683 . . . . 0.63 111.576 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.65 -36.74 4.18 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.501 -0.857 . . . . 0.46 113.278 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 113' ' ' THR . 56.2 t -68.01 123.3 21.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.863 0.363 . . . . 0.53 111.144 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.561 HG22 HG23 ' A' ' 113' ' ' THR . 99.8 t -100.76 107.93 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.89 -0.595 . . . . 0.97 111.026 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -92.22 112.85 24.95 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.069 -0.514 . . . . 1.22 109.758 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.48 ' HD2' ' OE2' ' A' ' 12' ' ' GLU . 22.3 mttt -107.64 131.29 54.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.566 -0.288 . . . . 1.17 111.155 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -131.41 118.84 20.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.569 0.7 . . . . 2.48 109.587 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.2 m -102.32 123.27 45.82 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.577 -0.738 . . . . 0.43 110.125 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.8 m -121.62 136.64 54.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.243 -0.435 . . . . 0.38 110.059 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.0 pttm -80.18 156.9 26.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.354 -0.384 . . . . 1.45 110.24 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 126.8 41.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.461 . . . . 1.45 111.213 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.36 166.52 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.438 -0.801 . . . . 0.35 109.507 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.576 -0.726 . . . . 1.27 109.851 179.056 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.534 0.207 . . . . 1.24 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.56 138.17 58.25 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.059 0.392 . . . . 0.26 112.059 -179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 170.02 11.75 Favored Glycine 0 N--CA 1.44 -1.061 0 C-N-CA 120.737 -0.744 . . . . 0.21 112.413 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 141.87 28.1 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.58 -0.896 . . . . 1.54 108.58 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 97.2 m-85 -127.05 142.53 51.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.504 -0.316 . . . . 1.29 110.34 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.417 ' HG2' HG22 ' A' ' 37' ' ' VAL . 32.6 mt-10 -129.69 148.31 51.56 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.973 -0.291 . . . . 1.41 110.348 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.402 ' HE1' ' HB2' ' A' ' 11' ' ' ASP . 22.0 t80 -45.65 114.33 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.292 0.995 . . . . 1.86 112.682 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -109.85 -56.16 2.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.461 -0.791 . . . . 1.46 110.341 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 m -146.37 166.18 27.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.51 -0.314 . . . . 1.01 110.66 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.557 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 8.6 t70 -151.57 156.19 39.97 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.0 -0.37 . . . . 1.72 110.0 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 27.7 tt0 -151.85 136.77 17.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 1.44 111.112 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.07 36.35 9.86 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.219 -0.9 . . . . 0.84 112.098 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.557 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 38.4 t80 -63.52 -62.81 1.43 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.313 0.486 . . . . 1.39 112.313 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.9 m-20 -58.63 -38.46 78.11 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.113 0.412 . . . . 1.3 112.113 -178.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.76 -39.74 89.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.325 0.583 . . . . 1.46 109.642 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -68.26 -55.58 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.059 -0.973 . . . . 1.24 111.155 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 15' ' ' ASP . 31.5 m -60.86 -35.4 64.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.086 -0.507 . . . . 0.26 112.126 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -71.09 -26.93 63.26 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 120.913 -0.315 . . . . 1.18 110.949 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -81.6 -44.4 17.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.841 0.353 . . . . 0.88 111.625 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.425 HG12 ' HA ' ' A' ' 18' ' ' VAL . 25.6 pt -70.75 -17.07 20.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.271 -0.422 . . . . 0.39 111.685 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.43 39.18 9.17 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.768 -0.729 . . . . 0.39 112.354 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.556 HD23 HG12 ' A' ' 28' ' ' ILE . 16.0 tp -78.36 134.41 62.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.16 -0.311 . . . . 0.31 110.16 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' HD12 ' A' ' 23' ' ' LEU . 36.2 Cg_endo -67.78 145.59 69.55 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.399 2.066 . . . . 0.37 111.795 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.73 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 0.39 111.521 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 30' ' ' MET . 13.3 m-20 -59.18 -37.17 76.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.552 -0.749 . . . . 2.03 111.705 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -88.43 -34.26 17.58 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 121.036 -0.266 . . . . 0.94 110.642 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.556 HG12 HD23 ' A' ' 23' ' ' LEU . 64.3 mt -55.83 -56.51 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.37 110.904 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 11.5 mm-40 -67.39 -31.61 71.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.143 0.497 . . . . 1.73 111.116 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.471 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 9.4 tpt -65.76 -38.77 89.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.57 -0.741 . . . . 0.97 110.178 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.85 37.91 3.56 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.766 -0.73 . . . . 0.51 114.253 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.537 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.5 ptp180 -119.9 135.46 54.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.87 0.835 . . . . 2.27 111.011 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 59.46 22.51 11.03 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.4 -0.818 . . . . 1.78 111.95 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' SG ' ' HE1' ' A' ' 53' ' ' PHE . 1.1 p -94.16 151.49 19.44 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.085 -0.339 . . . . 1.16 110.085 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.45 ' HG3' ' HG3' ' A' ' 54' ' ' PRO . 2.5 ptpt -80.68 88.97 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.721 0.772 . . . . 2.49 111.782 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mm -85.35 123.74 39.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.728 -0.669 . . . . 0.66 109.741 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 5.4 t -98.33 125.46 51.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.262 -0.427 . . . . 0.37 110.166 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.701 ' HA ' ' O ' ' A' ' 50' ' ' THR . 25.0 m -107.6 106.0 16.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.759 -0.655 . . . . 0.33 110.289 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.453 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 58.9 mt-10 -94.18 117.66 30.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.048 -0.352 . . . . 1.39 110.048 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 48' ' ' THR . 59.7 t -111.11 124.47 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 123.467 0.48 . . . . 0.22 111.376 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.49 126.75 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 108.602 -0.888 . . . . 0.95 108.602 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -91.91 120.87 32.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.042 0.449 . . . . 2.06 111.853 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -128.16 75.34 1.61 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.715 -0.675 . . . . 1.73 109.235 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.07 -95.81 0.76 Allowed Glycine 0 CA--C 1.507 -0.42 0 N-CA-C 111.339 -0.704 . . . . 0.4 111.339 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.16 9.23 10.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.229 -0.656 . . . . 0.43 109.229 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.485 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 35.5 t70 -108.13 108.97 20.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.07 -0.968 . . . . 1.36 109.339 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -104.69 137.7 42.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 73.2 p -99.08 139.08 35.25 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 120.937 0.399 . . . . 0.56 110.531 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -118.4 102.45 8.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.956 -0.565 . . . . 0.42 109.503 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.701 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.3 m -101.92 124.36 47.41 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.089 -0.505 . . . . 0.35 110.232 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.507 ' HB3' ' HE3' ' A' ' 74' ' ' MET . 18.3 mm-40 -110.14 116.8 32.19 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.384 -0.599 . . . . 1.62 109.384 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.431 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 92.9 m-70 -105.66 125.9 51.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.106 0.479 . . . . 0.37 111.304 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.471 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 2.2 t80 -102.15 122.64 46.18 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-N 115.163 -0.926 . . . . 1.23 109.344 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 39.7 Cg_endo -66.03 114.4 2.98 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.257 1.971 . . . . 0.46 111.147 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.9 26.99 71.42 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.588 -0.815 . . . . 0.46 112.091 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.21 -165.15 11.59 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.497 -0.859 . . . . 0.41 113.064 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.466 HH12 HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -78.88 146.74 33.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.988 0.423 . . . . 3.34 111.187 -179.664 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -98.47 156.79 16.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.237 -0.438 . . . . 0.39 110.691 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.466 HG23 HH12 ' A' ' 57' ' ' ARG . 1.2 m -136.51 114.04 10.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.262 -0.427 . . . . 0.49 110.454 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.404 HG23 HG23 ' A' ' 50' ' ' THR . 3.7 m -121.83 127.06 50.12 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.874 0.324 . . . . 0.31 111.874 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.504 ' OD1' ' HA ' ' A' ' 71' ' ' MET . 46.5 m-80 -138.37 130.51 28.58 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.107 0.48 . . . . 1.72 110.578 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.3 p -105.2 136.65 44.32 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.696 -0.684 . . . . 1.04 109.38 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.469 ' CE2' HG21 ' A' ' 90' ' ' ILE . 53.4 p90 -136.2 138.07 41.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.434 0.635 . . . . 0.88 111.832 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.547 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 80.7 m -105.29 132.8 51.03 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.614 -0.721 . . . . 0.25 109.638 178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.22 126.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.491 -0.322 . . . . 0.24 110.687 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t70 75.65 25.08 1.23 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.887 0.851 . . . . 1.1 109.139 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.547 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 9.7 tppt? -137.68 149.45 46.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.997 -1.001 . . . . 1.59 110.776 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -83.51 126.81 33.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.851 -0.796 . . . . 2.55 108.851 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -123.47 140.76 52.68 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.457 0.54 . . . . 0.31 112.457 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.7 115.37 13.04 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.304 -0.628 . . . . 1.95 109.304 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.517 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 8.0 mtt -115.44 161.38 18.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.951 0.722 . . . . 0.26 112.951 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.531 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 30.5 tt0 -148.74 143.48 26.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.469 -0.787 . . . . 1.47 109.764 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.732 HG23 ' HE1' ' A' ' 79' ' ' PHE . 25.4 p -101.05 168.41 9.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.492 -0.558 . . . . 0.36 109.492 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.507 ' HE3' ' HB3' ' A' ' 51' ' ' GLN . 40.1 mtt -75.12 -1.1 21.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.851 0.358 . . . . 1.05 110.099 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.39 -1.36 64.43 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.325 -0.71 . . . . 0.48 111.325 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.99 25.48 26.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.014 -0.612 . . . . 0.48 112.337 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.531 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 12.3 mtp180 -93.24 120.17 33.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.965 0.412 . . . . 0.85 110.948 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -100.26 123.19 44.19 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.614 -0.884 . . . . 1.76 108.614 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.732 ' HE1' HG23 ' A' ' 73' ' ' THR . 42.6 p90 -163.39 -177.15 5.13 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 116.169 -0.469 . . . . 1.17 109.77 -177.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.6 151.25 29.52 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.735 -0.839 . . . . 2.55 108.735 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.68 164.92 34.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.854 0.359 . . . . 0.24 111.727 -177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.35 133.42 39.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.828 -0.624 . . . . 0.33 110.095 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -119.3 137.16 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.089 -0.505 . . . . 0.19 110.601 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.531 ' HG2' HG13 ' A' ' 91' ' ' VAL . 2.4 pttp -129.72 168.66 16.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.654 0.264 . . . . 1.14 110.408 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -121.83 128.54 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.765 0.316 . . . . 0.41 110.41 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -141.02 119.17 12.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.373 -0.376 . . . . 2.67 110.408 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.23 31.63 71.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.019 -0.61 . . . . 0.46 112.06 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.12 31.41 69.3 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.816 -0.707 . . . . 0.36 111.341 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -133.1 129.62 38.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.028 -0.36 . . . . 1.76 110.028 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.469 HG21 ' CE2' ' A' ' 63' ' ' PHE . 1.8 mt -84.11 111.35 19.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.074 -0.512 . . . . 0.22 110.026 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.531 HG13 ' HG2' ' A' ' 84' ' ' LYS . 6.3 p -114.07 133.26 60.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.223 0.535 . . . . 0.25 110.223 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -107.43 136.86 46.5 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.038 -0.528 . . . . 0.25 111.082 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -86.67 119.53 27.01 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.3 -0.409 . . . . 1.19 111.722 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 70.6 m-85 -146.31 151.63 44.46 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.902 -0.59 . . . . 1.27 110.878 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.54 115.53 4.33 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.727 2.285 . . . . 0.36 111.557 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 114' ' ' SER . 7.0 t-20 64.57 17.77 11.04 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.31 0.576 . . . . 1.5 110.56 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.506 ' HB3' ' CB ' ' A' ' 94' ' ' PHE . 4.0 t80 -140.06 130.1 24.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.403 0.62 . . . . 1.31 110.191 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -129.56 111.66 12.95 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.824 -0.626 . . . . 1.09 110.095 179.285 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.468 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 5.6 t60 -112.56 115.55 28.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.022 0.439 . . . . 0.67 110.579 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.4 HG22 ' HB ' ' A' ' 91' ' ' VAL . 22.8 p -123.05 129.41 51.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.944 -0.571 . . . . 0.31 110.922 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.1 134.95 54.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.31 -0.405 . . . . 0.26 110.161 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.86 176.67 11.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.668 0.271 . . . . 1.38 111.228 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.3 mm -115.02 111.79 37.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.787 -0.642 . . . . 0.37 109.958 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.0 m -123.74 105.55 9.77 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.006 0.431 . . . . 1.37 110.427 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.28 36.23 50.9 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.96 111.903 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.71 26.33 74.55 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 121.167 -0.54 . . . . 0.5 112.403 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -135.08 148.22 49.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.827 0.346 . . . . 1.22 111.272 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -88.92 116.52 27.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.01 -0.737 . . . . 0.82 109.01 179.23 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.6 p -120.6 111.39 31.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 N-CA-C 109.724 -0.473 . . . . 0.33 109.724 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.409 ' HG3' HD12 ' A' ' 108' ' ' LEU . 22.9 mt-10 -99.08 134.8 41.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.698 -0.683 . . . . 1.69 110.385 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 4.2 mp -115.66 130.51 70.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.656 -0.702 . . . . 0.37 109.632 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.6 m -125.34 108.78 12.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.26 -0.645 . . . . 0.37 109.26 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -98.93 128.41 45.09 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.405 -0.362 . . . . 0.27 111.635 -179.515 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 53.0 p -137.41 108.01 6.57 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.428 -0.582 . . . . 1.43 109.428 178.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.6 m 57.9 41.44 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.129 0.49 . . . . 0.63 111.116 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.74 -32.43 5.83 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.63 -0.795 . . . . 0.46 112.819 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 113' ' ' THR . 98.0 t -65.27 113.4 2.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.725 0.297 . . . . 0.53 110.419 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 113' ' ' THR . 57.3 t -95.7 109.45 22.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.111 -0.495 . . . . 0.97 111.038 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 111' ' ' ILE . 69.7 t80 -94.02 134.64 36.21 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.747 -0.661 . . . . 1.22 109.821 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.412 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 72.5 mttt -130.27 138.38 50.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.775 0.321 . . . . 1.17 111.555 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -141.21 122.2 14.57 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.171 -0.677 . . . . 2.48 109.171 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.9 m -100.22 131.15 46.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.566 -0.743 . . . . 0.43 110.636 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.9 m -126.78 132.87 50.95 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.008 -0.542 . . . . 0.38 110.186 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 53.1 pttt -80.01 155.31 27.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.196 -0.456 . . . . 1.45 109.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.533 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -99.78 122.92 43.47 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.019 -0.363 . . . . 1.45 110.019 -179.413 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.94 164.69 34.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.905 -0.589 . . . . 0.35 109.61 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.968 -0.539 . . . . 1.27 110.309 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 CA--C 1.522 -0.125 0 N-CA-C 110.258 -0.275 . . . . 1.24 110.258 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -61.72 139.52 58.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 0.26 111.505 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.05 172.06 12.76 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.448 -0.882 . . . . 0.21 112.169 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -97.51 142.14 29.71 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.818 -1.178 . . . . 1.54 107.818 178.028 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.517 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 99.6 m-85 -126.28 139.2 53.5 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.753 -0.379 . . . . 1.29 110.959 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 62.6 mt-10 -122.85 142.92 50.24 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.355 -0.839 . . . . 1.41 108.951 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.73 129.96 17.16 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.732 0.645 . . . . 1.86 111.04 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -123.52 -55.24 1.74 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.958 -0.564 . . . . 1.46 110.537 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.5 m -148.69 164.97 32.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.258 -0.428 . . . . 1.01 110.708 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.87 159.3 44.64 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.475 -0.565 . . . . 1.72 109.475 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 4.9 tt0 -145.87 138.72 25.81 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.957 -0.565 . . . . 1.44 110.031 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 58.76 41.41 21.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.903 -1.044 . . . . 0.84 111.586 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.64 -57.8 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.031 -0.268 . . . . 1.39 111.322 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.498 ' HA ' HG22 ' A' ' 18' ' ' VAL . 6.2 m-20 -60.87 -38.31 85.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.751 0.31 . . . . 1.3 111.727 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -40.71 94.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.344 0.592 . . . . 1.46 110.285 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.443 ' O ' HG12 ' A' ' 21' ' ' ILE . 73.2 t80 -64.54 -51.35 63.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.256 -0.884 . . . . 1.24 110.654 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.7 m -64.42 -37.83 81.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.648 . . . . 0.26 111.789 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 2.0 mmpt? -67.03 -32.38 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.676 -0.41 . . . . 1.18 110.295 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -73.43 -53.81 9.78 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.928 -0.578 . . . . 0.88 111.488 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 17' ' ' PHE . 19.7 pt -68.69 -3.81 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.861 -0.609 . . . . 0.39 111.235 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.77 39.1 93.5 Favored Glycine 0 C--O 1.237 0.304 0 C-N-CA 121.269 -0.491 . . . . 0.39 113.267 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD23 HG12 ' A' ' 28' ' ' ILE . 16.8 tp -73.42 134.83 79.33 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.134 -0.321 . . . . 0.31 110.134 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.469 ' HD2' HD12 ' A' ' 23' ' ' LEU . 30.5 Cg_endo -66.68 141.89 61.87 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.234 1.956 . . . . 0.37 111.41 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.25 -37.58 62.22 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.116 -0.493 . . . . 0.39 111.68 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' MET . 4.6 t70 -54.7 -40.29 69.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.447 -0.797 . . . . 2.03 111.056 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -88.56 -32.44 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.587 -0.278 . . . . 0.94 110.936 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.513 HG12 HD23 ' A' ' 23' ' ' LEU . 79.9 mt -57.28 -61.25 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.498 . . . . 0.37 111.378 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.4 -29.35 68.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.838 -0.619 . . . . 1.73 111.117 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.461 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 11.1 tpt -67.66 -40.34 84.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.791 -0.64 . . . . 0.97 110.461 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.45 25.06 28.76 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.709 -0.757 . . . . 0.51 113.157 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -125.06 145.8 49.74 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 122.218 -0.578 . . . . 2.27 110.58 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 57.88 27.03 14.03 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.585 -0.734 . . . . 1.78 111.102 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -106.93 156.39 18.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.082 -0.508 . . . . 1.16 110.6 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 84.69 7.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.44 0.638 . . . . 2.49 111.464 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mm -82.12 122.69 37.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.653 -0.703 . . . . 0.66 110.118 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 2.8 t -103.94 125.06 58.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.958 -0.386 . . . . 0.37 109.958 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.768 ' HA ' ' O ' ' A' ' 50' ' ' THR . 18.7 m -115.34 110.18 19.0 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.193 -0.458 . . . . 0.33 111.189 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.31 110.63 23.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.967 0.413 . . . . 1.39 110.243 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.59 126.75 65.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.58 -0.737 . . . . 0.22 111.047 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.595 HG12 ' OG1' ' A' ' 48' ' ' THR . 7.1 p -113.92 136.99 48.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.48 -0.563 . . . . 0.95 109.48 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -85.28 112.54 20.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.281 0.563 . . . . 2.06 111.455 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -125.92 74.08 1.4 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.611 -0.722 . . . . 1.73 109.915 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.34 -102.89 1.0 Allowed Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.448 -1.061 . . . . 0.4 110.448 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.79 9.76 11.44 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.053 -0.721 . . . . 0.43 109.053 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 39.1 t70 -103.45 109.09 20.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.604 -1.18 . . . . 1.36 109.448 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.38 130.48 54.19 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.003 0.43 . . . . 1.0 110.449 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.595 ' OG1' HG12 ' A' ' 41' ' ' VAL . 77.9 p -91.48 121.0 32.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.197 -0.456 . . . . 0.56 110.803 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.568 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -100.47 100.45 11.21 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.303 -0.999 . . . . 0.42 108.303 178.571 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.768 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.8 m -106.78 117.82 35.06 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.937 -0.574 . . . . 0.35 110.596 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -112.06 119.04 37.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.968 0.414 . . . . 1.62 110.634 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -102.17 127.7 48.98 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.894 -0.594 . . . . 0.37 110.582 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.5 t80 -101.6 125.83 36.15 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.45 -0.795 . . . . 1.23 110.313 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.1 Cg_endo -61.7 115.38 2.75 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.742 2.295 . . . . 0.46 112.032 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.0 18.1 64.14 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.716 -0.674 . . . . 0.46 112.851 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.13 -169.66 11.95 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.643 -0.789 . . . . 0.41 112.882 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.46 142.13 46.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.952 0.406 . . . . 3.34 111.798 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 t -88.54 157.03 18.75 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.554 -0.535 . . . . 0.39 109.554 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.4 m -140.0 118.8 12.45 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.43 -0.35 . . . . 0.49 110.12 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 m -127.07 128.72 46.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.02 0.438 . . . . 0.31 111.751 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.568 ' ND2' ' HB3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -139.01 115.73 10.71 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.569 -0.741 . . . . 1.72 109.565 177.556 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.1 m -98.06 146.9 25.08 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.241 -0.89 . . . . 1.04 109.784 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -146.61 148.85 32.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.192 0.52 . . . . 0.88 112.228 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.459 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 39.9 m -113.53 129.26 56.59 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.421 -0.808 . . . . 0.25 109.588 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.436 HG23 ' HA ' ' A' ' 84' ' ' LYS . 50.5 mm -55.75 125.25 10.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.648 -0.251 . . . . 0.24 110.908 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t0 76.24 22.19 1.36 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 124.188 0.93 . . . . 1.1 110.455 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.479 ' HE3' ' O ' ' A' ' 68' ' ' GLU . 38.2 tptt -138.1 141.58 40.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.579 -0.737 . . . . 1.59 110.152 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -70.56 134.37 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.767 -0.827 . . . . 2.55 108.767 177.898 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.82 152.99 46.22 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.555 0.576 . . . . 0.31 112.555 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.26 118.33 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.235 -0.893 . . . . 1.95 109.619 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 6.6 mtt -122.82 168.73 11.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.213 0.53 . . . . 0.26 112.019 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 16.8 tt0 -155.94 142.58 18.71 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.373 -0.973 . . . . 1.47 108.373 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.659 HG23 ' HE1' ' A' ' 79' ' ' PHE . 21.9 p -97.84 170.75 8.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.912 -0.403 . . . . 0.36 109.912 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.9 mtt -73.55 -14.39 61.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.335 -0.393 . . . . 1.05 110.075 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.02 -19.71 69.34 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.795 -0.639 . . . . 0.48 111.615 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.65 38.86 2.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.107 -0.568 . . . . 0.48 112.598 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.559 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.9 mtp180 -103.51 127.32 50.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.785 -0.244 . . . . 0.85 110.894 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -101.29 122.89 44.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.965 -0.754 . . . . 1.76 108.965 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.659 ' HE1' HG23 ' A' ' 73' ' ' THR . 53.4 p90 -161.67 172.3 16.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 1.17 112.274 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -139.45 138.47 36.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.162 -0.926 . . . . 2.55 109.682 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.79 162.78 37.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.048 -0.523 . . . . 0.24 111.244 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.2 138.86 33.2 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.262 -0.427 . . . . 0.33 109.955 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.75 140.02 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 116.185 -0.461 . . . . 0.19 109.934 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HA ' HG23 ' A' ' 65' ' ' ILE . 39.3 pttt -134.68 178.47 6.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.662 -0.496 . . . . 1.14 109.662 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 mtt -128.45 135.39 49.41 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.624 0.249 . . . . 0.41 110.906 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -130.69 103.42 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.237 -0.438 . . . . 2.67 110.585 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.52 42.95 99.65 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.056 -0.592 . . . . 0.46 112.954 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.47 19.6 76.05 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.072 -0.585 . . . . 0.36 112.985 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -123.53 126.91 47.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.518 -0.549 . . . . 1.76 109.518 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 mt -81.53 114.78 23.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.506 -0.553 . . . . 0.22 109.506 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.405 HG13 ' HG3' ' A' ' 84' ' ' LYS . 5.5 p -116.06 136.13 53.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.231 0.539 . . . . 0.25 111.547 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.14 147.92 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.721 -0.672 . . . . 0.25 110.452 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -106.69 123.31 47.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.989 0.424 . . . . 1.19 111.326 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.44 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 68.0 m-85 -142.7 152.92 60.73 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.78 -0.645 . . . . 1.27 110.792 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.73 113.99 3.38 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.32 2.013 . . . . 0.36 111.442 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 63.08 20.24 12.16 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.954 -0.566 . . . . 1.5 110.695 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.44 ' HB3' ' CB ' ' A' ' 94' ' ' PHE . 6.5 t80 -142.65 128.57 19.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.12 0.486 . . . . 1.31 109.936 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.55 ' O ' ' HA ' ' A' ' 112' ' ' SER . 8.3 t60 -125.84 114.5 18.65 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.408 -0.59 . . . . 1.09 109.408 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 8.7 t60 -116.39 119.7 36.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.868 0.366 . . . . 0.67 111.27 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.9 p -125.94 131.34 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.31 110.015 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.32 140.86 49.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.332 -0.394 . . . . 0.26 110.374 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -160.79 171.7 18.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.919 0.39 . . . . 1.38 110.881 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.0 mm -112.17 116.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.783 -0.644 . . . . 0.37 110.219 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 p -112.45 96.48 6.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.458 -0.337 . . . . 1.37 110.753 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.5 32.99 64.23 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.939 -0.648 . . . . 0.96 112.562 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.3 12.27 70.64 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.401 -0.904 . . . . 0.5 112.763 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -122.31 139.24 54.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.858 0.361 . . . . 1.22 110.481 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.0 tm? -84.66 124.91 32.01 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.856 -0.611 . . . . 0.82 109.49 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -129.56 122.24 54.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 116.06 -0.518 . . . . 0.33 110.199 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.408 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 31.6 mt-10 -108.57 129.94 55.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.584 -0.735 . . . . 1.69 110.197 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 5.0 mp -111.73 132.41 60.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.919 -0.582 . . . . 0.37 109.479 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.55 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.3 m -130.17 108.4 10.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.149 -0.478 . . . . 0.37 110.676 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.611 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -90.74 130.78 36.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.39 -0.368 . . . . 0.27 111.089 179.475 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.5 p -134.87 103.65 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.223 -0.444 . . . . 1.43 110.809 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.7 m 56.33 25.17 9.1 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.994 -0.548 . . . . 0.63 112.265 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 118.19 -32.5 5.24 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.649 -0.786 . . . . 0.46 112.89 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.59 119.93 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 117.048 0.424 . . . . 0.53 110.747 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.611 HG22 HG23 ' A' ' 113' ' ' THR . 72.8 t -96.39 107.15 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.988 -0.551 . . . . 0.97 110.786 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' A' ' 111' ' ' ILE . 46.1 t80 -90.79 142.83 27.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.761 -0.654 . . . . 1.22 109.893 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 1.9 mttt -137.1 142.48 42.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.799 0.333 . . . . 1.17 110.898 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.408 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -143.97 121.84 12.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.527 -0.545 . . . . 2.48 109.527 177.878 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 23.9 m -104.52 132.23 51.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.069 -0.514 . . . . 0.43 111.257 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.4 m -124.89 136.94 54.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.837 -0.619 . . . . 0.38 109.726 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 5.9 pttm -79.23 155.61 28.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.414 -0.357 . . . . 1.45 110.238 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.517 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -100.22 121.21 41.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 1.45 110.717 -179.781 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.72 167.59 17.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.442 -0.799 . . . . 0.35 109.06 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.19 -0.91 . . . . 1.27 109.558 178.059 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.603 0.239 . . . . 1.24 110.504 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 141.54 55.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.139 0.495 . . . . 0.26 111.906 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.22 167.99 12.34 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.147 -1.025 . . . . 0.21 111.947 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.4 OUTLIER -94.47 144.02 25.92 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.344 -0.984 . . . . 1.54 108.344 178.281 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.578 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 94.7 m-85 -126.36 138.02 53.52 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.473 -0.331 . . . . 1.29 110.309 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -126.35 146.26 50.12 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.979 -0.555 . . . . 1.41 110.055 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -45.59 130.19 8.86 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.267 0.979 . . . . 1.86 112.251 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -127.41 -46.52 1.47 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.222 -0.899 . . . . 1.46 109.484 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -156.01 166.09 34.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 1.01 110.474 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 121' ' ' ARG . 4.7 p-10 -148.47 163.45 37.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.277 -0.638 . . . . 1.72 109.277 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -152.93 135.25 15.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.148 0.499 . . . . 1.44 110.531 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 60.3 31.2 20.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.698 -1.137 . . . . 0.84 112.046 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -63.74 -56.47 15.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.831 0.348 . . . . 1.39 111.179 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.459 ' HA ' HG22 ' A' ' 18' ' ' VAL . 3.1 m-20 -61.47 -37.17 82.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.165 -0.47 . . . . 1.3 111.288 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -36.91 84.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.117 -0.492 . . . . 1.46 110.697 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.51 ' O ' HG12 ' A' ' 21' ' ' ILE . 40.8 t80 -69.35 -52.42 27.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.517 -0.765 . . . . 1.24 110.939 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 15' ' ' ASP . 34.2 m -61.04 -37.41 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.882 -0.599 . . . . 0.26 111.454 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -72.73 -23.73 60.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.864 0.364 . . . . 1.18 110.823 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -80.59 -47.91 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.88 111.078 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 17' ' ' PHE . 30.2 pt -73.34 -16.7 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.457 -0.338 . . . . 0.39 111.837 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.71 30.56 23.59 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.645 -0.788 . . . . 0.39 112.697 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.724 HD23 HG12 ' A' ' 28' ' ' ILE . 16.9 tp -61.82 136.08 94.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.206 -0.294 . . . . 0.31 110.206 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' A' ' 23' ' ' LEU . 33.3 Cg_endo -65.25 140.69 65.61 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.498 2.132 . . . . 0.37 111.804 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.74 -35.76 66.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.118 -0.492 . . . . 0.39 111.346 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -40.91 76.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.538 -0.755 . . . . 2.03 110.955 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -88.95 -33.7 17.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.94 110.885 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.724 HG12 HD23 ' A' ' 23' ' ' LEU . 46.3 mt -55.52 -55.33 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 N-CA-C 109.814 -0.439 . . . . 0.37 109.814 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 5.4 mm-40 -62.6 -36.14 81.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.396 -0.82 . . . . 1.73 110.745 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.416 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 7.7 tpt -64.05 -36.38 83.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.511 -0.768 . . . . 0.97 111.201 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.95 30.37 7.46 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.615 -0.802 . . . . 0.51 113.711 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.436 ' HD2' ' OE1' ' A' ' 29' ' ' GLU . 5.2 mtt180 -90.3 105.29 17.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.491 0.646 . . . . 2.27 111.777 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.42 24.74 11.97 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.337 -0.847 . . . . 1.78 112.217 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.0 m -80.45 145.65 31.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.18 -0.464 . . . . 1.16 109.999 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 7.3 ptpt -75.83 93.28 3.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.808 0.67 . . . . 2.49 112.808 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 mm -87.24 129.81 38.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.848 -0.615 . . . . 0.66 110.087 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 51' ' ' GLN . 4.4 t -102.31 134.78 42.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.567 -0.531 . . . . 0.37 109.567 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.527 HG23 ' OE1' ' A' ' 51' ' ' GLN . 38.1 m -119.86 108.3 14.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.372 -0.376 . . . . 0.33 110.348 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.455 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 27.6 mt-10 -97.49 115.78 28.45 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.124 -0.324 . . . . 1.39 110.124 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 48' ' ' THR . 54.5 t -111.72 129.28 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.888 -0.596 . . . . 0.22 112.033 -178.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.4 t -118.9 133.36 66.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.264 -1.013 . . . . 0.95 108.264 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.79 119.46 39.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.755 0.65 . . . . 2.06 112.755 -177.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -134.35 74.92 1.56 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.57 1.176 . . . . 1.73 109.394 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.58 -109.47 3.41 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 114.687 -1.142 . . . . 0.4 111.448 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.85 13.61 17.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.05 0.452 . . . . 0.43 109.889 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -108.72 111.73 23.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.481 -0.781 . . . . 1.36 109.73 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -108.81 138.01 45.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.574 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 17.2 p -101.36 139.99 36.27 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.267 -0.424 . . . . 0.56 110.651 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -121.38 100.24 6.92 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.682 -0.859 . . . . 0.42 108.682 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 8.3 m -103.99 108.97 20.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.943 -0.572 . . . . 0.35 110.566 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.527 ' OE1' HG23 ' A' ' 38' ' ' THR . 7.1 mm100 -99.35 119.19 37.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.944 -0.571 . . . . 1.62 111.176 -178.041 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.472 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 97.1 m-70 -106.86 120.95 43.39 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.939 -0.573 . . . . 0.37 110.571 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 4.0 t80 -90.01 129.94 44.26 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 114.905 -1.043 . . . . 1.23 109.712 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.586 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 14.7 Cg_endo -58.54 114.73 2.11 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.208 1.939 . . . . 0.46 111.928 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.39 27.04 67.11 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.897 -0.592 . . . . 0.46 111.806 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.97 -167.67 11.18 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.429 -0.891 . . . . 0.41 112.499 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.417 HH12 HG23 ' A' ' 59' ' ' THR . 0.2 OUTLIER -77.75 146.85 35.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 122.449 0.3 . . . . 3.34 111.007 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 t -98.08 160.23 14.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.678 0.275 . . . . 0.39 110.356 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.417 HG23 HH12 ' A' ' 57' ' ' ARG . 1.0 OUTLIER -140.8 111.86 7.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.483 -0.326 . . . . 0.49 110.821 -179.114 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.418 HG23 ' OG1' ' A' ' 50' ' ' THR . 3.0 m -105.75 129.95 53.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.947 0.403 . . . . 0.31 111.52 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -125.66 147.22 49.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.322 -0.621 . . . . 1.72 109.322 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.1 p -130.54 126.48 36.9 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.94 -0.763 . . . . 1.04 108.94 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -136.25 147.51 47.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.482 0.658 . . . . 0.88 112.151 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.489 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 96.9 m -115.71 130.65 56.93 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.321 -0.854 . . . . 0.25 108.972 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.45 HG23 ' HA ' ' A' ' 84' ' ' LYS . 47.4 mm -55.45 127.78 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.044 0.449 . . . . 0.24 111.78 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t70 70.38 24.64 4.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.229 -0.896 . . . . 1.1 109.639 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 18.4 tptm -137.39 142.4 41.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.985 -1.007 . . . . 1.59 110.085 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.3 140.94 52.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.035 -0.728 . . . . 2.55 109.035 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.67 161.8 30.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.498 0.555 . . . . 0.31 112.498 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -96.38 114.03 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.933 -1.03 . . . . 1.95 108.369 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.534 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 12.2 mtt -119.39 165.78 13.89 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.538 0.685 . . . . 0.26 111.849 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.712 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.6 tt0 -157.21 139.26 14.42 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.625 -1.17 . . . . 1.47 109.057 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.654 HG23 ' HE1' ' A' ' 79' ' ' PHE . 18.9 p -95.8 166.1 11.97 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.854 -0.424 . . . . 0.36 109.854 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 61.5 mtm -74.2 -1.69 21.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.235 0.541 . . . . 1.05 109.886 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.08 -12.59 61.65 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.869 -0.892 . . . . 0.48 110.869 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.95 35.89 4.39 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.115 -0.564 . . . . 0.48 112.715 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.712 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 20.1 mtp85 -111.93 117.85 33.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.692 0.246 . . . . 0.85 110.985 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.18 122.99 45.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.25 -1.018 . . . . 1.76 108.25 178.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.654 ' HE1' HG23 ' A' ' 73' ' ' THR . 36.7 p90 -150.72 176.12 11.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.936 0.398 . . . . 1.17 111.675 -177.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.23 133.73 47.67 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.726 -0.67 . . . . 2.55 109.236 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.73 161.45 41.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.25 -0.432 . . . . 0.24 110.381 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.55 140.63 30.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.664 0.269 . . . . 0.33 110.443 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.72 137.57 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.638 -0.505 . . . . 0.19 109.638 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' HA ' HG23 ' A' ' 65' ' ' ILE . 33.3 pttt -134.79 -178.06 4.91 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.803 -0.443 . . . . 1.14 109.803 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.2 mtt -129.2 138.36 51.68 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.154 -0.218 . . . . 0.41 110.708 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.438 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 0.9 OUTLIER -120.98 76.71 1.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.197 0.523 . . . . 2.67 111.275 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.81 49.06 9.22 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.701 -0.761 . . . . 0.46 113.294 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.4 5.94 88.16 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.927 -0.654 . . . . 0.36 112.871 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.438 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -118.3 125.06 49.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.963 -0.754 . . . . 1.76 108.963 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.8 mt -79.7 120.97 32.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.796 -0.362 . . . . 0.22 110.733 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.445 HG13 ' HG3' ' A' ' 84' ' ' LYS . 6.6 p -120.4 131.67 72.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.225 0.536 . . . . 0.25 110.357 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.4 149.49 26.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.041 -0.527 . . . . 0.25 111.097 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -99.47 120.25 39.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 1.19 111.004 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.497 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 78.5 m-85 -148.68 151.05 34.85 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.297 -0.41 . . . . 1.27 110.467 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.94 116.11 4.6 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.574 2.182 . . . . 0.36 111.489 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 114' ' ' SER . 65.5 t30 64.46 20.5 12.18 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.508 0.67 . . . . 1.5 110.037 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.582 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.1 t80 -143.61 119.23 10.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.705 -0.68 . . . . 1.31 110.748 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' SER . 17.0 t60 -118.57 103.82 10.08 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.663 -0.865 . . . . 1.09 108.663 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -109.77 120.2 41.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.626 -0.261 . . . . 0.67 110.939 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.0 p -126.39 150.69 48.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.897 -0.592 . . . . 0.31 111.199 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.12 135.31 46.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.731 -0.668 . . . . 0.26 109.976 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -154.12 173.58 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.02 0.438 . . . . 1.38 110.73 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 mm -110.17 124.54 67.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.503 -0.771 . . . . 0.37 109.596 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.2 m -133.5 102.83 5.66 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.038 -0.528 . . . . 1.37 109.949 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.35 36.66 49.51 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.747 -0.661 . . . . 0.96 111.982 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.72 20.01 77.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.84 -0.695 . . . . 0.5 111.592 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -127.45 149.32 50.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.9 0.381 . . . . 1.22 110.682 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.9 tm? -90.9 120.85 32.25 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.733 -0.667 . . . . 0.82 109.242 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.4 p -123.13 113.92 39.87 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.449 0.642 . . . . 0.33 110.145 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.439 ' HG3' HD11 ' A' ' 108' ' ' LEU . 31.3 mt-10 -98.29 136.34 38.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.567 -0.742 . . . . 1.69 109.885 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.58 123.41 71.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.836 -0.62 . . . . 0.37 109.602 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.4 m -123.68 122.73 38.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.153 -0.476 . . . . 0.37 109.731 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -113.06 136.62 52.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.557 -0.292 . . . . 0.27 111.771 -179.594 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 50.3 m -149.88 112.36 4.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.913 -0.585 . . . . 1.43 110.503 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 57.8 m 57.7 39.68 27.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.398 -0.819 . . . . 0.63 112.228 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.43 -29.0 10.94 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.876 -0.678 . . . . 0.46 114.309 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.1 t -77.25 125.6 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.542 0.671 . . . . 0.53 111.283 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.571 HG22 HG23 ' A' ' 113' ' ' THR . 47.2 t -103.89 111.01 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.684 -0.689 . . . . 0.97 110.597 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.474 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 5.0 t80 -100.36 131.86 46.05 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.624 -0.716 . . . . 1.22 109.553 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 110' ' ' GLU . 29.6 mtpt -130.34 150.7 51.45 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 120.914 0.388 . . . . 1.17 111.125 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 15.5 ptt-85 -145.33 131.21 19.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.107 -0.497 . . . . 2.48 110.163 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.6 m -104.24 125.29 50.39 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.704 -0.68 . . . . 0.43 110.698 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.9 m -123.89 137.38 54.65 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.894 -0.41 . . . . 0.38 109.894 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 12.7 pttm -80.61 159.0 25.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.404 -0.362 . . . . 1.45 111.208 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.511 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -99.02 121.48 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.077 0.465 . . . . 1.45 110.12 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.552 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -141.75 168.23 15.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.581 -0.736 . . . . 0.35 109.548 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.373 -0.822 . . . . 1.27 109.732 178.696 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--O 1.228 -0.079 0 N-CA-C 111.435 0.161 . . . . 1.24 111.435 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.26 142.92 50.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.147 0.498 . . . . 0.26 112.336 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.522 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 128.28 174.3 13.7 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.756 -0.735 . . . . 0.21 112.294 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.06 145.05 25.79 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.919 -0.771 . . . . 1.54 108.919 178.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 98.1 m-85 -127.28 145.54 50.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.699 0.285 . . . . 1.29 110.358 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -134.8 156.13 49.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.793 -0.64 . . . . 1.41 109.515 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -49.04 129.38 17.54 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.7 0.625 . . . . 1.86 111.392 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 122' ' ' THR . 8.8 tp10 -126.6 -56.06 1.4 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.75 -0.659 . . . . 1.46 110.03 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.3 m -148.24 164.41 34.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.398 -0.819 . . . . 1.01 109.738 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.584 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 12.7 t70 -153.86 156.01 36.81 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.424 -0.584 . . . . 1.72 109.424 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 60.8 tt0 -151.48 134.52 15.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.205 0.526 . . . . 1.44 111.531 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 60.69 41.66 14.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.797 -1.092 . . . . 0.84 111.987 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.584 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 18.2 t80 -69.55 -59.0 3.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.465 -0.334 . . . . 1.39 111.467 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.476 ' HA ' HG22 ' A' ' 18' ' ' VAL . 5.1 m-20 -57.92 -46.27 85.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.3 111.463 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.92 -42.34 75.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.288 0.566 . . . . 1.46 110.927 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -66.17 -56.66 10.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.124 -0.944 . . . . 1.24 111.378 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.3 m -60.8 -34.36 58.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.709 -0.678 . . . . 0.26 112.424 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -71.27 -27.57 63.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.679 0.276 . . . . 1.18 111.024 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.21 -39.57 25.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 0.88 111.861 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 pt -79.97 -6.06 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.042 0.449 . . . . 0.39 111.388 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.63 35.91 34.94 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.995 -0.621 . . . . 0.39 113.484 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.712 HD23 HG12 ' A' ' 28' ' ' ILE . 22.7 tp -70.91 132.81 86.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.228 -0.656 . . . . 0.31 109.228 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HD2' HD12 ' A' ' 23' ' ' LEU . 29.6 Cg_endo -65.34 138.75 56.83 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.974 1.783 . . . . 0.37 111.194 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . . . -55.3 -32.47 62.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.112 -0.495 . . . . 0.39 111.377 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -41.85 78.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.442 -0.799 . . . . 2.03 110.442 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -88.41 -30.82 19.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.94 110.408 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.712 HG12 HD23 ' A' ' 23' ' ' LEU . 55.9 mt -59.55 -58.14 8.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 0.37 110.208 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.495 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 45.4 mm-40 -66.7 -18.34 65.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.796 -0.638 . . . . 1.73 110.714 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.431 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.8 tpt -85.04 -29.59 24.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.758 -0.655 . . . . 0.97 111.246 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.99 23.53 16.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.369 -0.919 . . . . 0.51 113.758 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.6 ptp180 -105.28 127.6 53.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.02 0.41 . . . . 2.27 110.485 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.33 23.49 11.95 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.563 -0.744 . . . . 1.78 111.548 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.8 m -90.05 153.58 20.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.131 -0.486 . . . . 1.16 109.985 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -85.33 93.59 8.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.352 0.596 . . . . 2.49 112.106 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.92 122.37 51.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.682 -0.69 . . . . 0.66 109.62 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.4 t -94.39 126.68 46.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.294 -0.412 . . . . 0.37 110.952 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.689 ' HA ' ' O ' ' A' ' 50' ' ' THR . 28.5 m -110.58 107.31 16.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.351 -0.386 . . . . 0.33 110.129 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -96.33 110.92 23.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.191 -0.3 . . . . 1.39 110.191 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' A' ' 48' ' ' THR . 69.6 t -103.75 124.74 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.023 -0.535 . . . . 0.22 111.959 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.532 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 94.2 t -111.27 127.13 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.611 -0.885 . . . . 0.95 108.611 178.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -95.78 135.29 37.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.249 0.547 . . . . 2.06 112.082 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -152.0 86.83 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.218 -0.901 . . . . 1.73 109.577 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.6 -96.9 0.45 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.979 -0.629 . . . . 0.4 111.979 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.3 8.72 10.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.513 -0.551 . . . . 0.43 109.513 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -101.97 120.46 40.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.505 -0.77 . . . . 1.36 110.783 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -120.67 127.42 52.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.629 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.532 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -94.54 126.39 39.79 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.106 -0.497 . . . . 0.56 111.742 -179.667 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.96 101.16 10.94 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.292 -1.003 . . . . 0.42 108.292 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.689 ' O ' ' HA ' ' A' ' 38' ' ' THR . 7.3 m -109.74 110.22 21.16 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.19 -0.459 . . . . 0.35 110.4 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -104.31 117.76 34.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.302 0.572 . . . . 1.62 110.876 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -101.24 131.31 47.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.424 -0.807 . . . . 0.37 110.759 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.431 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 5.7 t80 -107.59 132.94 20.62 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-N 116.043 -0.526 . . . . 1.23 109.729 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 37.8 Cg_endo -65.15 111.96 1.93 Allowed 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 121.829 1.686 . . . . 0.46 111.597 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.59 24.28 70.98 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 115.925 -0.58 . . . . 0.46 113.631 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.52 -166.76 10.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.326 -0.94 . . . . 0.41 112.789 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 150.32 49.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.534 0.207 . . . . 3.34 110.977 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.5 t -108.78 149.23 29.36 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.243 -0.651 . . . . 0.39 109.243 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.8 m -127.34 111.73 14.22 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.981 0.419 . . . . 0.49 109.903 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -119.93 115.23 23.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.161 -0.472 . . . . 0.31 111.448 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -122.96 131.02 53.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.408 0.623 . . . . 1.72 110.355 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -109.17 123.78 49.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.236 -0.893 . . . . 1.04 109.66 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -131.96 149.72 52.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.276 0.56 . . . . 0.88 111.743 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.436 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 36.5 m -120.52 130.55 54.3 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.484 -0.78 . . . . 0.25 108.902 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.9 mm -55.1 126.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.597 -0.274 . . . . 0.24 111.143 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t70 74.02 23.02 2.26 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.294 0.997 . . . . 1.1 110.121 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 32.3 tptt -137.74 140.07 40.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.229 -0.896 . . . . 1.59 110.339 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -69.25 140.91 54.51 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.436 -0.579 . . . . 2.55 109.436 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -133.34 150.57 51.85 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.331 0.493 . . . . 0.31 112.331 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -83.99 120.07 25.67 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.223 -1.028 . . . . 1.95 108.223 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.496 ' SD ' ' HB3' ' A' ' 81' ' ' ALA . 15.5 mtt -121.53 170.68 9.44 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.512 0.672 . . . . 0.26 112.014 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.654 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 6.4 tt0 -160.31 145.51 14.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.614 -1.175 . . . . 1.47 108.705 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.525 HG23 ' HE1' ' A' ' 79' ' ' PHE . 26.7 p -89.58 -178.46 5.56 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.723 -0.391 . . . . 0.36 110.136 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 43.7 mtt -82.19 -11.36 58.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.929 -0.767 . . . . 1.05 108.929 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.59 -15.6 58.1 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.39 -0.823 . . . . 0.48 111.417 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.67 61.0 0.92 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.023 -0.608 . . . . 0.48 112.753 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.654 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 15.4 mtp180 -122.67 124.95 44.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.297 -0.261 . . . . 0.85 110.297 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -93.69 122.85 36.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.866 0.365 . . . . 1.76 110.845 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.525 ' HE1' HG23 ' A' ' 73' ' ' THR . 47.3 p90 -160.28 168.53 25.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 1.17 110.498 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -132.37 144.49 50.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.211 -0.449 . . . . 2.55 109.837 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.496 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -148.0 162.32 39.57 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.301 -0.409 . . . . 0.24 110.775 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.68 133.05 46.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.157 -0.683 . . . . 0.33 109.157 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.7 t -114.63 141.13 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 110.22 -0.289 . . . . 0.19 110.22 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.483 ' CG ' HG13 ' A' ' 91' ' ' VAL . 11.3 pttt -130.71 -179.53 5.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.856 -0.424 . . . . 1.14 109.856 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.465 ' HE2' HG12 ' A' ' 90' ' ' ILE . 1.7 mtt -135.33 133.32 38.68 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.132 -0.227 . . . . 0.41 110.552 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -131.03 108.17 9.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.985 0.421 . . . . 2.67 110.28 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.91 88.51 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.037 -0.601 . . . . 0.46 112.849 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.54 17.4 66.29 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.51 -0.852 . . . . 0.36 112.485 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 85' ' ' MET . 69.1 mttt -116.52 126.44 53.34 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.972 -0.381 . . . . 1.76 109.972 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.465 HG12 ' HE2' ' A' ' 85' ' ' MET . 2.2 mt -82.36 109.46 16.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.86 0.362 . . . . 0.22 110.225 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.483 HG13 ' CG ' ' A' ' 84' ' ' LYS . 1.5 p -111.43 130.05 65.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.976 -0.556 . . . . 0.25 111.477 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -107.94 142.39 38.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 0.25 110.78 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -99.78 120.47 39.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.284 0.564 . . . . 1.19 111.835 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -143.27 154.4 60.78 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.42 -0.809 . . . . 1.27 110.264 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -72.39 114.26 3.95 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.243 1.962 . . . . 0.36 111.638 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.554 ' O ' ' HA ' ' A' ' 114' ' ' SER . 66.9 t30 70.93 -0.44 3.04 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.307 0.643 . . . . 1.5 111.45 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.544 ' HA ' ' O ' ' A' ' 113' ' ' THR . 4.0 t80 -122.55 127.57 49.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.164 -0.471 . . . . 1.31 109.786 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.497 ' O ' ' HA ' ' A' ' 112' ' ' SER . 40.8 t60 -124.55 113.52 18.19 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.061 -0.718 . . . . 1.09 109.061 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -115.25 115.45 26.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.693 0.283 . . . . 0.67 111.307 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.456 HG22 ' HB ' ' A' ' 91' ' ' VAL . 14.4 p -123.02 128.92 50.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.127 -0.488 . . . . 0.31 110.511 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.81 137.89 51.66 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.127 -0.323 . . . . 0.26 110.127 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' O ' HD22 ' A' ' 108' ' ' LEU . 13.1 pt-20 -155.4 179.26 9.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.897 0.38 . . . . 1.38 111.294 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 45.3 mm -116.53 110.96 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 115.692 -0.686 . . . . 0.37 109.753 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 m -119.81 113.22 20.28 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.139 -0.482 . . . . 1.37 110.068 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.37 71.26 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.83 -0.7 . . . . 0.96 111.599 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.9 21.08 75.07 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.903 -0.665 . . . . 0.5 111.533 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -129.48 142.83 50.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 1.22 111.204 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.2 tm? -81.99 121.99 27.22 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.79 -0.819 . . . . 0.82 108.79 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -126.76 118.56 51.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-O 121.139 0.495 . . . . 0.33 110.14 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -101.95 133.2 47.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.645 -0.707 . . . . 1.69 109.805 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.1 mp -115.0 124.11 71.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 108.597 -0.89 . . . . 0.37 108.597 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 2.5 m -121.86 114.0 20.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.103 -0.499 . . . . 0.37 110.576 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.657 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -101.07 132.25 46.59 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.19 -0.459 . . . . 0.27 110.455 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 49.2 m -145.76 114.25 6.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.269 -0.423 . . . . 1.43 109.914 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.9 m 60.98 27.71 17.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.981 -0.554 . . . . 0.63 111.307 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.47 -14.77 64.47 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.978 -0.63 . . . . 0.46 112.432 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 113' ' ' THR . 47.1 t -80.54 122.65 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.928 -0.397 . . . . 0.53 109.928 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.657 HG22 HG23 ' A' ' 113' ' ' THR . 38.7 t -100.01 119.41 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.038 0.447 . . . . 0.97 110.94 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -106.46 130.08 54.32 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.493 -0.776 . . . . 1.22 109.419 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 54.8 mttt -123.08 142.6 50.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.034 0.445 . . . . 1.17 111.182 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 1.3 ptp180 -143.77 133.58 23.88 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.045 -0.525 . . . . 2.48 109.952 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 1.8 m -112.31 130.11 56.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.141 -0.481 . . . . 0.43 110.543 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.5 m -125.26 133.13 52.78 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.754 -0.657 . . . . 0.38 110.029 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 7.5 pttm -80.64 154.33 27.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.388 -0.369 . . . . 1.45 110.325 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.522 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -100.69 119.29 38.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.197 -0.456 . . . . 1.45 110.219 -179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.79 165.28 30.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.172 -0.467 . . . . 0.35 109.842 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.191 -0.909 . . . . 1.27 109.814 179.647 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 111.604 0.224 . . . . 1.11 111.604 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -76.41 -36.82 57.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.743 0.306 . . . . 1.24 110.814 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.547 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 2.0 m -58.12 127.84 34.13 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.97 0.414 . . . . 0.26 111.981 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.47 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 139.59 174.98 13.92 Favored Glycine 0 N--CA 1.438 -1.183 0 C-N-CA 120.401 -0.904 . . . . 0.21 112.333 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 141.27 28.66 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.199 -0.667 . . . . 1.54 109.199 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.554 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 66.1 m-85 -123.4 139.96 53.49 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.375 -0.375 . . . . 1.29 110.124 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HB2' HD11 ' A' ' 126' ' ' ILE . 29.5 mt-10 -127.65 143.79 51.13 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 110.03 -0.359 . . . . 1.41 110.03 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -49.52 124.53 9.58 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.925 0.765 . . . . 1.86 111.754 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.51 -51.65 2.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.701 . . . . 1.46 110.71 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 m -151.09 169.93 20.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.94 -0.573 . . . . 1.01 111.051 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.523 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -158.1 163.76 37.31 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 110.014 -0.365 . . . . 1.72 110.014 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 19.3 tt0 -147.79 138.08 22.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 1.44 109.954 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 61.34 34.81 18.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.135 -0.939 . . . . 0.84 112.195 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.523 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 10.9 t80 -61.95 -59.15 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.627 0.251 . . . . 1.39 111.295 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' HA ' HG22 ' A' ' 18' ' ' VAL . 6.8 m-20 -61.7 -39.02 89.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 1.3 111.484 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -43.21 99.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.121 0.486 . . . . 1.46 110.484 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.479 ' O ' HG12 ' A' ' 21' ' ' ILE . 72.0 t80 -64.28 -53.04 55.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.468 -0.787 . . . . 1.24 110.964 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.509 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.3 m -61.22 -35.86 68.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.26 111.449 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -69.46 -28.46 66.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.692 0.282 . . . . 1.18 111.655 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HG3' ' CG2' ' A' ' 117' ' ' VAL . 18.2 mmmt -82.42 -46.52 13.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.629 0.252 . . . . 0.88 111.598 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 17' ' ' PHE . 30.4 pt -69.54 -9.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.429 . . . . 0.39 111.056 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.39 37.97 53.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.938 -0.649 . . . . 0.39 112.974 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.652 HD11 H152 ' A' ' 200' ' ' CHO . 16.5 tp -71.53 133.73 84.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.621 -0.511 . . . . 0.31 109.621 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.552 ' HD2' HD12 ' A' ' 23' ' ' LEU . 34.3 Cg_endo -66.62 139.56 53.55 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.307 2.005 . . . . 0.37 111.603 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.22 57.29 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.97 -0.559 . . . . 0.39 111.742 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.31 -37.36 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.585 -0.734 . . . . 2.03 111.631 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -89.03 -33.02 17.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.56 -0.291 . . . . 0.94 111.207 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.58 HG12 HD23 ' A' ' 23' ' ' LEU . 71.5 mt -56.8 -62.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.839 -0.619 . . . . 0.37 111.875 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 4.2 mm-40 -68.28 -18.63 64.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 1.73 111.091 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.0 tpt -75.91 -42.7 48.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.796 -0.638 . . . . 0.97 109.617 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.671 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -100.27 32.23 7.56 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.659 -0.701 . . . . 0.51 113.905 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.468 ' HD2' ' OE1' ' A' ' 29' ' ' GLU . 9.3 ptm180 -123.36 141.15 52.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.765 0.782 . . . . 2.27 111.351 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.35 19.98 10.68 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.609 -0.723 . . . . 1.78 111.495 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.56 150.63 22.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.406 -0.361 . . . . 1.16 110.598 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 pttt -76.44 83.08 3.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.029 -0.532 . . . . 2.49 112.173 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.9 mm -80.73 123.86 37.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.513 . . . . 0.66 109.64 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 16.6 t -103.74 122.61 56.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 110.247 -0.279 . . . . 0.37 110.247 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.794 ' HA ' ' O ' ' A' ' 50' ' ' THR . 86.6 m -109.67 106.17 15.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.374 -0.376 . . . . 0.33 110.154 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -93.99 117.53 30.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.313 -0.403 . . . . 1.39 110.496 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -110.48 130.65 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.891 -0.595 . . . . 0.22 112.213 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.4 t -115.55 133.41 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.995 -0.548 . . . . 0.95 110.263 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.547 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 33.2 tp60 -83.08 111.9 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 2.06 110.635 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -130.72 73.9 1.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.462 -0.57 . . . . 1.73 109.462 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.75 -99.42 0.6 Allowed Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 111.026 -0.83 . . . . 0.4 111.026 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.04 6.81 10.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.308 -0.627 . . . . 0.43 109.308 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 37.2 t70 -100.1 108.35 20.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.846 -1.07 . . . . 1.36 109.513 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -103.09 128.49 49.97 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.898 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.3 p -89.4 121.29 31.5 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.179 -0.464 . . . . 0.56 111.058 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.5 OUTLIER -104.24 99.92 9.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.064 -0.717 . . . . 0.42 109.064 178.46 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.794 ' O ' ' HA ' ' A' ' 38' ' ' THR . 6.0 m -104.29 121.04 42.51 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.13 -0.486 . . . . 0.35 110.697 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -109.08 117.26 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.623 -0.51 . . . . 1.62 109.623 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -102.73 133.16 48.23 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.069 0.462 . . . . 0.37 110.115 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -112.3 120.32 41.78 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.436 -0.802 . . . . 1.23 110.017 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.01 114.29 2.24 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.609 2.206 . . . . 0.46 112.598 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.08 24.66 74.6 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.46 113.094 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.66 -165.62 11.44 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.351 -0.928 . . . . 0.41 113.066 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.81 145.79 42.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.966 0.412 . . . . 3.34 111.333 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 t -101.43 161.7 13.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.844 -0.616 . . . . 0.39 110.43 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.27 131.1 21.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.31 -0.626 . . . . 0.49 109.31 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.7 m -137.05 119.14 15.43 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.022 -0.424 . . . . 0.31 110.91 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -131.53 116.72 17.81 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.012 0.435 . . . . 1.72 110.389 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.3 m -97.16 147.57 23.95 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.936 -0.764 . . . . 1.04 108.936 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' A' ' 90' ' ' ILE . 40.8 p90 -145.11 141.78 29.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.077 0.465 . . . . 0.88 111.679 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 50.5 m -106.16 124.81 50.16 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.732 -0.84 . . . . 0.25 108.732 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.05 124.17 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.575 -0.284 . . . . 0.24 111.186 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t0 78.01 22.45 0.82 Allowed 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.249 0.968 . . . . 1.1 110.259 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 34.8 tptt -137.9 144.9 41.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.405 -0.816 . . . . 1.59 110.354 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -71.55 130.28 40.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.457 -0.571 . . . . 2.55 109.457 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -120.55 148.56 43.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.034 0.445 . . . . 0.31 111.826 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.34 119.89 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.679 -1.23 . . . . 1.95 107.679 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.551 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 19.8 mtt -124.16 162.45 23.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.61 0.719 . . . . 0.26 112.874 -177.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 27.3 tt0 -151.84 144.63 24.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.648 -1.16 . . . . 1.47 108.775 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.97 HG22 H162 ' A' ' 201' ' ' CHO . 32.0 p -100.98 176.01 5.41 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.846 0.355 . . . . 0.36 110.34 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.732 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 39.0 mtt -77.62 -17.52 57.7 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.292 -0.413 . . . . 1.05 110.494 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.21 -6.29 88.12 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.928 -0.654 . . . . 0.48 112.15 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.79 48.85 2.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.849 -0.691 . . . . 0.48 113.11 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.624 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.8 mtp85 -113.44 122.95 48.87 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.737 -0.273 . . . . 0.85 110.618 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -100.93 122.34 43.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.989 -0.745 . . . . 1.76 108.989 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.795 ' HZ ' H181 ' A' ' 201' ' ' CHO . 48.3 p90 -162.3 175.82 11.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.2 0.524 . . . . 1.17 111.89 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.23 152.09 51.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.626 -0.715 . . . . 2.55 109.638 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -156.69 161.86 39.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.235 -0.439 . . . . 0.24 110.535 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.09 133.11 47.45 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.619 -0.512 . . . . 0.33 109.619 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.27 133.44 65.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.368 -0.378 . . . . 0.19 110.247 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -127.15 176.76 7.13 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.393 -0.595 . . . . 1.14 109.393 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 89' ' ' LYS . 2.1 mtt -125.57 132.8 52.48 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.984 -0.376 . . . . 0.41 109.984 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 4.8 pt-20 -121.11 84.84 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 2.67 111.324 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.45 41.97 28.74 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.406 -0.902 . . . . 0.46 112.758 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.87 8.23 82.83 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.36 112.878 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 24.2 mtpt -113.26 129.77 56.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.42 -0.585 . . . . 1.76 109.42 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.452 HG21 ' CE1' ' A' ' 63' ' ' PHE . 1.5 mt -84.74 114.2 24.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 110.112 -0.329 . . . . 0.22 110.112 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 p -116.81 131.49 69.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.353 0.597 . . . . 0.25 111.556 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.665 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -112.8 139.59 48.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.62 -0.718 . . . . 0.25 109.687 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -100.61 124.11 45.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.964 0.411 . . . . 1.19 111.368 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.49 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 76.6 m-85 -142.33 154.59 64.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.7 -0.682 . . . . 1.27 110.361 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -67.54 114.92 3.46 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.057 1.838 . . . . 0.36 111.668 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' A' ' 114' ' ' SER . 13.1 t-20 58.9 25.26 13.46 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.436 0.636 . . . . 1.5 110.589 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.717 ' CZ ' H213 ' A' ' 201' ' ' CHO . 2.6 t80 -146.03 122.57 11.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.361 -0.836 . . . . 1.31 109.555 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.485 ' O ' ' HA ' ' A' ' 112' ' ' SER . 19.5 t60 -125.67 114.78 19.13 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.834 -0.432 . . . . 1.09 109.834 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.546 ' CD2' ' H21' ' A' ' 201' ' ' CHO . 8.3 t60 -112.97 124.89 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.165 0.291 . . . . 0.67 110.792 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.7 p -131.41 129.11 40.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.31 110.445 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.21 134.14 55.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.365 -0.379 . . . . 0.26 110.247 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -152.27 171.46 17.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.349 . . . . 1.38 110.733 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.9 mm -111.44 118.99 58.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.108 -0.496 . . . . 0.37 111.168 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -113.38 91.72 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.14 -0.482 . . . . 1.37 111.075 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.55 43.8 84.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.96 113.449 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.18 13.29 79.34 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.526 -0.845 . . . . 0.5 112.976 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -126.33 142.35 51.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.874 0.368 . . . . 1.22 110.318 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.54 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.8 tm? -92.53 123.47 35.86 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.593 -0.731 . . . . 0.82 109.34 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -124.8 118.5 53.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 121.368 0.604 . . . . 0.33 110.528 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -101.49 126.05 48.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.68 -0.691 . . . . 1.69 109.444 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 3.8 mp -108.86 122.74 63.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 109.458 -0.571 . . . . 0.37 109.458 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.3 m -122.95 108.94 13.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.052 -0.522 . . . . 0.37 110.61 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.807 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -94.92 131.74 40.5 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.596 -0.52 . . . . 0.27 109.596 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 5.7 t -151.8 119.34 6.05 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 120.966 0.413 . . . . 1.43 110.288 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.4 m 59.14 24.18 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.408 -0.814 . . . . 0.63 111.966 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 107.43 -28.79 11.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.46 113.391 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.566 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 67.8 t -80.31 129.83 36.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 117.173 0.486 . . . . 0.53 111.942 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.807 HG22 HG23 ' A' ' 113' ' ' THR . 87.5 t -101.58 106.93 20.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.583 -0.735 . . . . 0.97 110.121 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -93.81 128.55 40.12 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.967 -0.56 . . . . 1.22 110.281 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 51.7 mttt -122.41 144.67 48.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.353 -0.385 . . . . 1.17 110.332 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.62 116.34 9.23 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.879 -0.6 . . . . 2.48 109.729 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.1 m -96.51 125.96 41.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.808 -0.633 . . . . 0.43 110.207 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.6 m -124.66 132.9 53.38 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.18 -0.464 . . . . 0.38 109.981 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 15.6 pttm -80.22 154.17 28.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.375 -0.375 . . . . 1.45 110.819 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.554 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -97.73 118.58 34.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.139 0.495 . . . . 1.45 109.921 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.542 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -134.33 168.52 23.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 108.607 -0.886 . . . . 0.35 108.607 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.422 -0.799 . . . . 1.27 110.249 178.318 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.808 H121 H212 ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.97 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.869 0.366 . . . . 1.11 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -93.38 -19.83 20.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 1.24 111.155 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.97 140.07 57.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.079 0.466 . . . . 0.26 112.075 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.85 166.63 11.9 Favored Glycine 0 N--CA 1.439 -1.162 0 C-N-CA 120.772 -0.728 . . . . 0.21 111.834 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -95.48 142.75 27.46 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.79 -0.819 . . . . 1.54 108.79 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 95.0 m-85 -124.75 144.08 50.44 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 121.115 -0.234 . . . . 1.29 110.864 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' A' ' 126' ' ' ILE . 14.4 mt-10 -118.44 156.68 28.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.059 -0.518 . . . . 1.41 110.198 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -63.5 108.99 1.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.94 -0.573 . . . . 1.86 110.649 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -102.14 -49.06 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 1.46 109.68 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -157.58 158.0 34.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.482 -0.326 . . . . 1.01 110.404 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -140.43 152.09 45.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.9 -0.778 . . . . 1.72 108.9 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -139.93 139.16 36.09 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.12 0.486 . . . . 1.44 110.876 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t30 58.72 49.6 9.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.602 -1.181 . . . . 0.84 111.559 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -75.39 -57.99 3.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.128 -0.487 . . . . 1.39 112.184 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.477 ' HA ' HG22 ' A' ' 18' ' ' VAL . 8.4 m-20 -56.84 -41.89 78.68 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.216 0.45 . . . . 1.3 112.216 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -38.91 88.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.403 0.62 . . . . 1.46 110.73 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.53 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 80.7 t80 -67.56 -52.78 34.66 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.336 -0.847 . . . . 1.24 110.839 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.4 m -64.34 -38.02 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.807 -0.633 . . . . 0.26 111.804 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -69.95 -28.91 65.96 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.043 -0.263 . . . . 1.18 111.049 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -75.53 -46.13 33.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.42 -0.354 . . . . 0.88 111.343 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 pt -73.02 -14.24 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.741 0.305 . . . . 0.39 111.715 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.49 33.93 26.88 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.091 -0.576 . . . . 0.39 112.308 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.62 HD23 HG12 ' A' ' 28' ' ' ILE . 21.0 tp -69.67 135.8 88.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.659 -0.497 . . . . 0.31 109.659 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.593 ' HD2' HD12 ' A' ' 23' ' ' LEU . 26.5 Cg_endo -64.62 139.11 62.21 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.125 1.883 . . . . 0.37 111.386 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.72 -37.76 59.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.076 0.465 . . . . 0.39 111.165 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.74 -38.52 69.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.25 -0.886 . . . . 2.03 111.728 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -90.17 -31.35 17.09 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 121.139 -0.224 . . . . 0.94 110.72 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.62 HG12 HD23 ' A' ' 23' ' ' LEU . 62.4 mt -57.68 -61.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.086 -0.506 . . . . 0.37 110.657 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -67.14 -24.44 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.518 -0.765 . . . . 1.73 111.339 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 tpt -74.94 -34.8 62.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.169 -0.468 . . . . 0.97 110.409 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.735 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -107.61 23.69 25.7 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.5 -0.857 . . . . 0.51 113.943 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -109.26 138.51 45.52 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 117.381 0.59 . . . . 2.27 110.833 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.22 25.09 10.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.676 -0.693 . . . . 1.78 111.033 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.2 m -98.49 154.52 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.927 -0.578 . . . . 1.16 110.224 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.06 88.51 7.72 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.497 0.554 . . . . 2.49 112.497 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 mp -94.46 123.49 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.245 -0.65 . . . . 0.66 109.245 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 t -92.65 140.94 15.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.622 -0.263 . . . . 0.37 110.361 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.3 m -116.9 106.79 13.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.121 -0.491 . . . . 0.33 110.023 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 9.6 mt-10 -95.54 110.58 22.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.87 0.367 . . . . 1.39 110.555 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 48' ' ' THR . 46.5 t -110.93 124.27 67.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 0.22 111.995 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG12 ' OG1' ' A' ' 48' ' ' THR . 6.8 p -117.27 136.19 55.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.199 -1.037 . . . . 0.95 108.199 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -103.28 121.17 42.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.268 0.556 . . . . 2.06 112.408 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -126.83 79.44 1.87 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.386 -0.968 . . . . 1.73 108.386 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.86 -94.52 0.98 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.84 -0.904 . . . . 0.4 110.84 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.2 6.6 9.13 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.646 -0.501 . . . . 0.43 109.646 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 34.2 t70 -96.92 109.69 22.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.401 -0.818 . . . . 1.36 109.741 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -108.23 142.38 38.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.126 -0.694 . . . . 1.0 109.126 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.481 ' OG1' HG12 ' A' ' 41' ' ' VAL . 82.4 p -112.32 136.0 52.3 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.395 -0.522 . . . . 0.56 111.915 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.569 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.5 OUTLIER -110.77 99.6 8.5 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.634 -0.876 . . . . 0.42 108.634 177.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.652 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.8 m -105.75 118.17 35.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.053 -0.522 . . . . 0.35 110.202 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -105.1 117.78 34.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.996 -0.372 . . . . 1.62 109.996 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -105.95 119.63 39.69 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.963 -0.562 . . . . 0.37 110.038 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 9.0 t80 -97.01 137.41 21.28 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.454 -0.794 . . . . 1.23 110.947 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 30.9 Cg_endo -65.61 113.85 2.67 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.448 2.099 . . . . 0.46 111.799 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.18 35.6 65.48 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.072 -0.585 . . . . 0.46 113.648 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.73 -164.38 11.0 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.395 -0.907 . . . . 0.41 112.841 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.52 145.96 48.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.648 0.261 . . . . 3.34 110.565 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -107.85 161.52 14.84 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.322 -0.399 . . . . 0.39 110.345 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.25 141.36 33.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.535 -0.302 . . . . 0.49 110.425 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.5 m -142.48 119.62 11.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.639 0.257 . . . . 0.31 110.97 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -126.26 122.01 34.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.347 0.594 . . . . 1.72 111.232 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.5 p -103.14 131.94 49.78 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.579 -0.737 . . . . 1.04 109.302 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.545 ' CZ ' ' H3 ' ' A' ' 201' ' ' CHO . 47.8 p90 -140.48 141.57 35.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.491 0.662 . . . . 0.88 111.969 -178.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.485 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 55.3 m -107.11 126.62 52.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.628 -0.714 . . . . 0.25 109.279 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.423 HG21 ' HB2' ' A' ' 85' ' ' MET . 44.1 mm -55.15 126.8 13.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 120.674 0.273 . . . . 0.24 110.977 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.9 t70 75.83 22.06 1.54 Allowed 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.144 0.978 . . . . 1.1 110.395 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 31.0 tptt -137.12 147.28 45.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.422 -0.808 . . . . 1.59 110.259 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.5 mp0 -74.41 135.74 42.39 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.311 -0.625 . . . . 2.55 109.311 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -127.09 159.88 32.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.784 0.326 . . . . 0.31 111.508 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -101.08 121.66 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.433 -0.951 . . . . 1.95 108.433 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.604 ' SD ' H191 ' A' ' 201' ' ' CHO . 2.7 mtt -126.3 161.49 27.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.708 0.766 . . . . 0.26 112.387 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.701 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 7.6 tt0 -142.07 141.96 32.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.277 -1.329 . . . . 1.47 107.73 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.711 HG22 H162 ' A' ' 201' ' ' CHO . 51.8 p -86.73 -172.71 4.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.977 0.418 . . . . 0.36 110.814 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.766 ' HB2' ' H14' ' A' ' 200' ' ' CHO . 58.8 mtp -89.06 -6.7 56.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.99 -0.55 . . . . 1.05 109.684 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.34 -32.48 7.75 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.308 -0.717 . . . . 0.48 111.308 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.73 31.64 0.75 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.48 113.629 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.701 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 6.3 mtp180 -97.29 122.86 40.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.732 0.266 . . . . 0.85 110.61 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -100.43 122.2 42.79 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.262 -1.014 . . . . 1.76 108.262 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.844 ' HZ ' H181 ' A' ' 201' ' ' CHO . 43.3 p90 -156.71 176.87 12.16 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.758 -0.377 . . . . 1.17 111.659 -177.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.13 146.16 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.625 -0.509 . . . . 2.55 109.625 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.43 161.43 40.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.688 -0.233 . . . . 0.24 111.04 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -103.58 131.91 50.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.968 -0.382 . . . . 0.33 109.968 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.7 t -114.68 144.35 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.416 -0.357 . . . . 0.19 110.306 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -134.52 -179.49 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.625 -0.509 . . . . 1.14 109.625 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.423 ' HB2' HG21 ' A' ' 65' ' ' ILE . 1.8 mtt -131.27 134.15 46.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.486 0.184 . . . . 0.41 110.836 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -128.4 110.36 12.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 2.67 110.512 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.6 31.87 79.36 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 116.031 -0.531 . . . . 0.46 113.108 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.76 20.77 59.11 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 120.329 -0.939 . . . . 0.36 112.401 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -122.34 128.81 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.359 -0.608 . . . . 1.76 109.359 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' A' ' 100' ' ' THR . 1.7 mt -80.94 118.24 28.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.869 -0.332 . . . . 0.22 110.696 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.5 p -123.26 130.77 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.568 . . . . 0.25 110.859 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.683 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -111.22 140.34 45.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.821 -0.627 . . . . 0.25 110.831 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -90.5 121.63 32.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.001 0.429 . . . . 1.19 111.68 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.565 ' CE2' H111 ' A' ' 201' ' ' CHO . 71.0 m-85 -145.4 152.45 49.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.625 -0.716 . . . . 1.27 110.615 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.23 114.26 3.94 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.432 2.088 . . . . 0.36 111.275 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.671 ' O ' ' HA ' ' A' ' 114' ' ' SER . 2.5 m-20 64.13 19.06 11.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.921 -0.581 . . . . 1.5 111.128 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.735 ' CZ ' H213 ' A' ' 201' ' ' CHO . 5.5 t80 -139.52 123.36 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.225 -0.657 . . . . 1.31 109.225 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -121.13 103.34 8.93 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.403 -0.817 . . . . 1.09 108.969 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.748 ' CD2' ' H21' ' A' ' 201' ' ' CHO . 4.6 t60 -100.98 122.86 44.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.255 -0.43 . . . . 0.67 110.997 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 40.5 p -137.58 148.42 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.31 110.981 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -136.69 136.27 38.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.313 -0.403 . . . . 0.26 110.098 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -149.73 172.37 15.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 1.38 111.004 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 mm -113.49 124.17 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.496 -0.775 . . . . 0.37 110.39 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.9 t -95.28 -120.06 0.1 Allowed 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.803 -0.814 . . . . 1.37 108.803 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -80.2 61.84 4.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.469 -0.872 . . . . 0.96 111.003 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 21.59 77.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.03 -0.605 . . . . 0.5 111.806 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -130.91 146.61 52.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.032 0.444 . . . . 1.22 111.025 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.4 tm? -89.16 120.57 30.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.373 -0.831 . . . . 0.82 109.571 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 p -118.61 113.36 41.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 108.649 -0.871 . . . . 0.33 108.649 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.643 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 24.8 tt0 -96.57 137.22 35.98 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.006 -0.997 . . . . 1.69 110.304 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.89 125.03 69.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.951 -0.568 . . . . 0.37 110.77 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.1 m -124.48 114.3 19.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.847 -0.615 . . . . 0.37 109.91 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.703 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -103.01 133.38 48.24 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.291 -0.413 . . . . 0.27 110.335 179.462 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.671 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 0.2 OUTLIER -141.78 111.92 6.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.105 0.479 . . . . 1.43 110.463 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m 56.68 30.65 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.066 -0.97 . . . . 0.63 111.397 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.32 -35.34 5.11 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.506 -0.854 . . . . 0.46 113.159 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.91 126.04 29.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 117.1 0.45 . . . . 0.53 110.973 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.703 HG22 HG23 ' A' ' 113' ' ' THR . 21.8 t -103.32 117.17 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.982 -0.554 . . . . 0.97 111.142 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 20.1 t80 -104.4 125.25 50.44 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.127 -0.694 . . . . 1.22 109.127 178.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -123.78 147.29 47.67 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.078 0.466 . . . . 1.17 110.77 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.643 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -145.19 130.79 18.88 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.812 -0.631 . . . . 2.48 110.959 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.2 m -99.66 126.95 45.76 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.999 -0.546 . . . . 0.43 109.576 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 1.5 m -124.76 126.52 45.78 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.708 -0.397 . . . . 0.38 110.779 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 7.9 pttt -73.94 157.39 36.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.917 -0.583 . . . . 1.45 109.495 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -100.84 126.51 47.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.12 0.486 . . . . 1.45 111.032 -178.677 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.433 HD11 ' HB2' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -141.7 167.95 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.841 -0.618 . . . . 0.35 109.406 179.437 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.342 -0.837 . . . . 1.27 110.199 178.488 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.967 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.967 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.529 0.204 . . . . 1.11 110.752 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -62.5 -41.47 98.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.984 0.364 . . . . 1.24 111.984 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.4 m -55.2 142.8 29.85 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.283 0.563 . . . . 0.26 112.305 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.98 174.91 15.07 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.493 -0.86 . . . . 0.21 111.996 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -99.13 143.3 29.56 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.918 -0.771 . . . . 1.54 108.918 178.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CE2' ' HB2' ' A' ' 108' ' ' LEU . 63.1 m-85 -125.75 142.64 51.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.635 -0.257 . . . . 1.29 110.586 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -119.51 141.83 48.85 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.45 -0.204 . . . . 1.41 110.45 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 3.7 t80 -48.97 118.02 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.941 0.775 . . . . 1.86 111.431 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -110.44 -50.34 2.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.054 -0.521 . . . . 1.46 111.1 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.9 m -151.03 167.77 26.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.319 . . . . 1.01 111.506 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 1.8 p30 -151.96 159.02 43.89 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.811 -0.631 . . . . 1.72 109.779 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -144.43 138.49 27.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.908 -0.587 . . . . 1.44 110.295 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 60.17 34.77 21.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.936 -1.029 . . . . 0.84 112.266 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.421 ' O ' HG22 ' A' ' 18' ' ' VAL . 51.1 t80 -60.11 -61.5 2.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.44 . . . . 1.39 111.08 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.99 -42.29 79.98 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.078 -0.51 . . . . 1.3 111.742 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -47.73 83.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.098 0.475 . . . . 1.46 110.645 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CG ' ' HB2' ' A' ' 119' ' ' TYR . 64.4 t80 -62.65 -53.23 57.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.564 -0.744 . . . . 1.24 111.43 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 14' ' ' TYR . 32.2 m -59.78 -39.6 80.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 0.26 111.637 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -72.55 -24.31 61.11 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.832 0.349 . . . . 1.18 110.898 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -81.7 -45.75 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.445 . . . . 0.88 111.602 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.61 -17.56 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 111.782 0.29 . . . . 0.39 111.782 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.92 28.49 11.97 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.183 -1.008 . . . . 0.39 112.971 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.718 HD11 H152 ' A' ' 200' ' ' CHO . 15.0 tp -69.83 132.46 88.79 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.694 -0.484 . . . . 0.31 109.694 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.45 ' O ' HG13 ' A' ' 28' ' ' ILE . 30.6 Cg_endo -66.76 140.26 55.31 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.108 1.872 . . . . 0.37 111.767 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.1 -32.99 56.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.234 -0.439 . . . . 0.39 111.647 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -41.32 85.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.639 -0.709 . . . . 2.03 110.481 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -88.72 -31.22 18.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.671 -0.695 . . . . 0.94 110.892 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.568 HG12 HD23 ' A' ' 23' ' ' LEU . 57.3 mt -56.81 -56.65 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.37 111.218 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 4.1 mm-40 -71.15 -20.3 62.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.948 -0.569 . . . . 1.73 110.979 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.452 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 8.8 tpt -77.49 -37.43 51.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.712 -0.676 . . . . 0.97 110.632 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.779 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -104.42 27.87 17.41 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.837 -0.697 . . . . 0.51 113.884 -178.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' HD2' ' HA ' ' A' ' 29' ' ' GLU . 11.3 ptm180 -111.98 136.91 50.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.462 0.631 . . . . 2.27 110.507 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.25 21.19 10.61 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.674 -0.694 . . . . 1.78 110.738 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.5 m -92.04 137.15 32.6 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.798 -0.637 . . . . 1.16 110.358 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 81.26 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.651 . . . . 2.49 111.937 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.7 mm -77.53 128.06 38.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.924 -0.58 . . . . 0.66 110.031 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.467 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 5.2 t -101.82 120.72 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.018 -0.364 . . . . 0.37 110.018 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.682 ' HA ' ' O ' ' A' ' 50' ' ' THR . 25.9 m -103.37 105.42 15.68 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.055 -0.521 . . . . 0.33 110.076 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -97.98 117.79 33.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.822 0.344 . . . . 1.39 110.644 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.3 t -111.61 124.16 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.472 -0.786 . . . . 0.22 112.023 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 58.7 t -110.72 121.27 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 0.95 109.279 178.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.548 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 0.2 OUTLIER -84.01 119.09 24.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.948 0.404 . . . . 2.06 111.334 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -139.71 76.43 1.56 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.976 -0.557 . . . . 1.73 109.885 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.59 -95.5 0.79 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.759 -0.655 . . . . 0.4 111.776 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.71 2.42 8.2 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.071 0.462 . . . . 0.43 110.131 178.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 27.0 t70 -99.66 110.04 22.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 1.36 109.745 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.04 130.95 55.49 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.509 -0.552 . . . . 1.0 109.509 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -94.95 122.36 37.52 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 116.051 -0.522 . . . . 0.56 111.276 -179.367 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.587 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -101.71 100.87 11.29 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.751 -0.833 . . . . 0.42 108.751 178.525 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.682 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.9 m -101.29 127.1 48.05 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.85 -0.614 . . . . 0.35 110.405 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -114.31 116.24 28.65 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.594 -0.521 . . . . 1.62 109.594 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.467 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 84.3 m-70 -103.1 121.63 43.02 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.904 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.452 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 6.1 t80 -99.04 126.09 39.46 Favored Pre-proline 0 N--CA 1.441 -0.918 0 CA-C-N 115.499 -0.773 . . . . 1.23 109.298 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.94 112.23 1.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.092 1.861 . . . . 0.46 112.132 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.41 29.98 76.52 Favored Glycine 0 CA--C 1.522 0.473 0 CA-C-N 116.137 -0.483 . . . . 0.46 113.044 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.45 -166.02 12.24 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.013 -1.089 . . . . 0.41 113.701 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.87 147.66 51.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 3.34 111.312 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -105.78 156.86 17.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.178 -0.465 . . . . 0.39 110.342 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.66 113.65 11.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.485 -0.561 . . . . 0.49 109.485 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -125.4 115.85 20.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.944 0.402 . . . . 0.31 111.688 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -121.2 135.8 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.342 0.591 . . . . 1.72 110.019 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.6 p -111.67 128.02 55.94 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.298 -0.865 . . . . 1.04 109.252 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -136.67 139.55 42.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.199 0.523 . . . . 0.88 112.253 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 46' ' ' ASP . 18.4 m -107.05 131.75 53.74 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.911 -0.774 . . . . 0.25 108.911 178.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.7 mm -53.86 128.8 14.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 120.879 0.371 . . . . 0.24 111.313 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 70.21 27.62 4.12 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.361 -0.836 . . . . 1.1 109.943 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 64' ' ' THR . 11.8 tppt? -136.92 147.99 46.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.465 -0.789 . . . . 1.59 110.743 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -75.06 124.99 27.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.556 -0.905 . . . . 2.55 108.556 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -117.51 150.77 38.39 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.7 0.629 . . . . 0.31 112.7 -178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -83.45 121.2 26.87 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 107.695 -1.224 . . . . 1.95 107.695 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.565 ' SD ' ' HB3' ' A' ' 81' ' ' ALA . 41.7 mtt -125.55 164.41 20.58 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.934 0.716 . . . . 0.26 112.934 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.623 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 12.0 tt0 -159.93 138.86 10.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.701 -1.136 . . . . 1.47 109.038 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.809 HG22 H162 ' A' ' 201' ' ' CHO . 29.8 p -87.45 173.39 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.937 0.398 . . . . 0.36 110.104 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.714 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 7.2 ttm -78.76 -7.87 58.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.522 -0.548 . . . . 1.05 109.522 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.09 -19.09 54.45 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.722 -0.672 . . . . 0.48 111.691 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.29 22.46 6.15 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.914 -0.66 . . . . 0.48 113.366 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.623 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.1 mtp85 -94.08 120.77 34.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.517 0.658 . . . . 0.85 110.413 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.78 129.91 45.94 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.119 -0.697 . . . . 1.76 109.119 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.843 ' HZ ' H181 ' A' ' 201' ' ' CHO . 36.9 p90 -160.64 176.53 11.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.798 0.332 . . . . 1.17 110.456 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 79' ' ' PHE . 7.6 mmtt -131.67 141.33 49.56 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.744 -0.835 . . . . 2.55 108.744 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.565 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -151.06 162.45 40.84 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.552 0.215 . . . . 0.24 110.686 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 138.06 39.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.281 -0.418 . . . . 0.33 110.423 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 t -117.39 145.5 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.302 -0.408 . . . . 0.19 110.222 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' CG ' HG13 ' A' ' 91' ' ' VAL . 5.1 pttt -135.04 179.43 6.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.992 -0.373 . . . . 1.14 109.992 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 ttt -137.5 117.11 12.98 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.096 -0.242 . . . . 0.41 110.871 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -121.69 112.61 18.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.801 -0.181 . . . . 2.67 110.864 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.43 90.22 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 121.096 -0.574 . . . . 0.46 112.85 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.97 26.79 65.87 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.714 -0.755 . . . . 0.36 112.37 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -127.78 127.93 44.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.802 -0.444 . . . . 1.76 109.802 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mt -82.28 109.31 16.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.959 -0.385 . . . . 0.22 109.959 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.505 HG13 ' CG ' ' A' ' 84' ' ' LYS . 2.7 p -114.0 129.73 69.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.247 0.546 . . . . 0.25 110.791 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.598 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -106.76 142.53 36.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.827 -0.624 . . . . 0.25 110.11 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -96.66 121.49 38.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.132 0.492 . . . . 1.19 111.6 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.438 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 67.2 m-85 -144.16 157.52 56.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.348 -0.842 . . . . 1.27 111.356 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.86 120.44 3.83 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.66 2.24 . . . . 0.36 110.97 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.0 t30 62.94 21.26 12.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.56 0.695 . . . . 1.5 110.427 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.741 ' CE1' H213 ' A' ' 201' ' ' CHO . 3.4 t80 -146.08 128.81 16.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.765 -0.652 . . . . 1.31 110.401 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.431 ' O ' ' HA ' ' A' ' 112' ' ' SER . 27.3 t60 -126.57 104.07 7.92 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.824 -0.625 . . . . 1.09 109.326 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -109.45 118.08 35.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.682 0.277 . . . . 0.67 111.146 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.4 HG22 ' HB ' ' A' ' 91' ' ' VAL . 23.4 p -128.17 133.18 48.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.31 110.514 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.79 133.78 55.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.26 110.347 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -155.64 171.22 20.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.868 0.366 . . . . 1.38 110.892 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 15.1 mm -102.89 118.89 50.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.804 -0.634 . . . . 0.37 110.41 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.8 t -123.83 110.17 14.54 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.979 -0.378 . . . . 1.37 109.979 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.26 30.77 73.74 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.04 -0.6 . . . . 0.96 112.201 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.48 13.27 82.82 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.02 -0.609 . . . . 0.5 112.295 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -123.94 153.58 40.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 1.22 110.634 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.645 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 2.1 tm? -93.68 119.49 32.75 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.164 -0.68 . . . . 0.82 109.164 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.9 p -124.36 116.44 47.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.138 0.494 . . . . 0.33 109.747 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.472 ' HG3' ' CD1' ' A' ' 108' ' ' LEU . 28.7 mt-10 -102.39 134.47 45.65 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.946 -0.57 . . . . 1.69 110.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.95 121.71 67.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.732 -0.667 . . . . 0.37 109.276 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.5 m -122.16 104.66 9.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.3 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.85 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -92.22 137.59 32.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.03 -0.532 . . . . 0.27 110.959 179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 t -154.65 117.59 4.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.651 0.262 . . . . 1.43 110.377 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 m 57.85 32.24 21.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.72 -0.673 . . . . 0.63 111.997 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.67 -22.3 39.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.424 -0.893 . . . . 0.46 113.542 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.4 t -84.25 121.89 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 117.24 0.52 . . . . 0.53 110.412 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.85 HG22 HG23 ' A' ' 113' ' ' THR . 48.8 t -97.81 110.66 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.896 -0.593 . . . . 0.97 111.55 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.463 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 60.9 t80 -97.01 133.25 41.92 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.287 -0.635 . . . . 1.22 109.287 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -131.59 138.91 49.03 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.809 0.337 . . . . 1.17 111.031 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 128.97 31.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 2.48 110.132 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 16.4 m -109.52 132.6 53.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.082 -0.508 . . . . 0.43 110.35 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -129.08 140.64 51.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.083 -0.508 . . . . 0.38 109.953 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 23.8 pttt -90.3 156.43 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.001 -0.37 . . . . 1.45 110.001 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.13 134.15 36.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.423 0.63 . . . . 1.45 111.449 -177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.463 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -142.22 166.01 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 114.855 -1.066 . . . . 0.35 109.082 178.533 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.353 -0.832 . . . . 1.27 109.443 178.908 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.805 H121 H212 ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.843 H181 ' HZ ' ' A' ' 79' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.604 0.24 . . . . 1.11 110.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -102.26 -23.92 13.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.591 -0.277 . . . . 1.24 111.346 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.4 m -64.36 138.06 58.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.956 0.408 . . . . 0.26 110.556 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.514 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 137.55 168.11 11.25 Favored Glycine 0 N--CA 1.435 -1.4 0 C-N-CA 120.201 -1.0 . . . . 0.21 112.34 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 145.03 27.03 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.06 -1.089 . . . . 1.54 108.06 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 91.7 m-85 -126.39 141.78 51.77 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.586 0.232 . . . . 1.29 110.984 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 74.9 mt-10 -121.77 150.53 41.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.879 -0.6 . . . . 1.41 109.465 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -54.85 131.68 44.72 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.53 0.519 . . . . 1.86 111.26 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' A' ' 122' ' ' THR . 0.7 OUTLIER -126.72 -57.39 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.548 -0.751 . . . . 1.46 110.557 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -153.7 163.83 39.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.172 -0.467 . . . . 1.01 110.963 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 1.2 p30 -152.45 155.03 36.71 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.451 -0.574 . . . . 1.72 109.451 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -140.55 138.53 34.58 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.218 -0.446 . . . . 1.44 110.051 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 t30 61.75 49.28 4.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.942 -1.026 . . . . 0.84 111.431 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.422 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 7.3 t80 -77.18 -56.03 4.92 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.33 -0.395 . . . . 1.39 111.709 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.415 ' CG ' HH22 ' A' ' 32' ' ' ARG . 3.4 m-20 -58.34 -42.94 87.97 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.147 0.425 . . . . 1.3 112.147 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -39.41 94.13 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.996 0.427 . . . . 1.46 110.933 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 89.3 t80 -64.97 -53.99 37.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.511 -0.768 . . . . 1.24 111.278 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.7 m -62.69 -35.63 71.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.26 111.919 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.84 -24.76 63.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.379 . . . . 1.18 110.327 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 117' ' ' VAL . 0.9 OUTLIER -78.8 -54.3 6.22 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.735 -0.666 . . . . 0.88 111.609 -179.35 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 pt -69.32 -6.38 6.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.39 -0.823 . . . . 0.39 111.178 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.1 39.82 62.53 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.488 -0.863 . . . . 0.39 112.988 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.704 HD11 H152 ' A' ' 200' ' ' CHO . 17.9 tp -72.47 132.77 83.45 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 109.637 -0.505 . . . . 0.31 109.637 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' HD12 ' A' ' 23' ' ' LEU . 32.5 Cg_endo -65.53 142.24 70.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.064 1.843 . . . . 0.37 111.71 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.28 -34.91 59.26 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.06 0.457 . . . . 0.39 111.292 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -39.96 80.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.283 -0.872 . . . . 2.03 110.821 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' HD2' H222 ' A' ' 200' ' ' CHO . 75.9 mmtt -88.85 -32.15 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.94 110.864 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.529 HG12 HD23 ' A' ' 23' ' ' LEU . 55.8 mt -57.59 -58.94 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.37 111.166 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -66.38 -30.6 71.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.918 -0.583 . . . . 1.73 110.798 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.452 ' HG2' H231 ' A' ' 200' ' ' CHO . 10.6 tpt -68.14 -40.67 82.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.296 -0.866 . . . . 0.97 111.133 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.678 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -102.78 27.94 18.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.02 -0.609 . . . . 0.51 113.911 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.415 HH22 ' CG ' ' A' ' 15' ' ' ASP . 9.6 ptm180 -125.35 144.33 50.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.441 -0.577 . . . . 2.27 109.441 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.95 14.02 9.02 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.624 0.578 . . . . 1.78 110.736 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -97.18 156.94 16.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.058 -0.519 . . . . 1.16 111.248 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HG2' ' H ' ' A' ' 35' ' ' LYS . 24.9 pttt -88.12 88.08 7.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.418 0.628 . . . . 2.49 111.006 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.8 mm -87.98 122.91 40.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.81 -0.632 . . . . 0.66 110.189 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 25.4 t -102.87 125.8 57.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.314 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.624 ' HA ' ' O ' ' A' ' 50' ' ' THR . 98.6 m -111.07 109.64 19.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.092 -0.504 . . . . 0.33 109.764 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -100.23 117.77 35.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.869 0.366 . . . . 1.39 110.248 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 48' ' ' THR . 67.7 t -112.35 134.64 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.713 -0.676 . . . . 0.22 111.3 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.5 t -119.68 134.16 64.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.939 -0.573 . . . . 0.95 110.316 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.492 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 6.0 tp-100 -81.82 130.22 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 2.06 110.105 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -151.64 74.91 1.14 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.82 -0.437 . . . . 1.73 109.82 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.12 -92.06 0.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.878 -0.677 . . . . 0.4 111.413 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.88 10.47 3.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.193 0.52 . . . . 0.43 109.936 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -107.25 108.4 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.355 -0.838 . . . . 1.36 109.299 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -100.02 134.62 42.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.997 0.427 . . . . 1.0 110.768 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.574 HG22 ' OG ' ' A' ' 62' ' ' SER . 32.7 p -94.86 123.9 38.6 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.844 -0.616 . . . . 0.56 110.332 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.528 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -108.41 102.15 11.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.359 -0.608 . . . . 0.42 109.359 178.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.4 m -105.3 118.82 37.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.369 -0.378 . . . . 0.35 111.285 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -105.7 119.17 38.46 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 110.078 -0.341 . . . . 1.62 110.078 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.47 129.55 49.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.085 0.469 . . . . 0.37 110.547 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CE2' H232 ' A' ' 200' ' ' CHO . 2.2 t80 -111.42 120.04 43.73 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.387 -0.824 . . . . 1.23 110.148 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.49 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 33.5 Cg_endo -63.8 113.94 2.37 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.455 2.104 . . . . 0.46 111.518 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.49 31.9 82.4 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.708 -0.678 . . . . 0.46 112.378 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.422 ' HA3' ' CD2' ' A' ' 53' ' ' PHE . . . -147.31 -164.68 11.32 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.367 -0.921 . . . . 0.41 113.026 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.8 145.92 34.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 3.34 111.404 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 t -103.68 160.29 14.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.033 0.444 . . . . 0.39 110.946 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.23 131.97 21.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.012 -0.54 . . . . 0.49 110.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -137.07 117.88 14.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.698 0.285 . . . . 0.31 110.617 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -129.19 126.56 39.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.084 0.469 . . . . 1.72 110.469 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.574 ' OG ' HG22 ' A' ' 48' ' ' THR . 48.7 m -110.21 132.96 53.71 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.087 -0.709 . . . . 1.04 109.087 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.659 ' CD1' ' H5 ' ' A' ' 201' ' ' CHO . 46.5 p90 -133.11 145.41 50.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.095 0.474 . . . . 0.88 112.029 -177.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.476 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 65.1 m -107.4 128.4 54.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.678 -0.692 . . . . 0.25 109.564 178.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.401 HG23 ' HA ' ' A' ' 84' ' ' LYS . 45.3 mm -55.46 127.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.24 110.878 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.4 t70 74.85 21.75 2.02 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.197 0.999 . . . . 1.1 110.636 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HE2' ' O ' ' A' ' 68' ' ' GLU . 17.0 tptm -136.81 140.9 42.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.787 -0.642 . . . . 1.59 110.175 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 67' ' ' LYS . 28.5 tt0 -75.99 122.69 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.533 -0.543 . . . . 2.55 109.533 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -111.88 158.79 19.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.27 -0.423 . . . . 0.31 111.208 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.24 119.17 31.09 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.12 -1.067 . . . . 1.95 108.12 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.626 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 7.4 mtt -122.26 162.88 20.62 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.638 0.732 . . . . 0.26 112.258 -178.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 17.9 tt0 -149.85 142.39 24.43 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.654 -1.157 . . . . 1.47 108.254 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.93 HG22 H162 ' A' ' 201' ' ' CHO . 26.4 p -97.84 175.38 6.18 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.666 -0.494 . . . . 0.36 109.666 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.802 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 31.6 mtt -74.21 -12.52 60.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.41 -0.589 . . . . 1.05 109.41 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.25 -10.33 83.83 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 111.179 -0.769 . . . . 0.48 111.179 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.57 20.97 30.31 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.296 -0.478 . . . . 0.48 112.845 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 8.5 mtp180 -82.13 124.28 29.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.815 0.308 . . . . 0.85 111.059 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -98.81 122.2 41.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.281 -0.637 . . . . 1.76 109.281 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.825 ' HZ ' H181 ' A' ' 201' ' ' CHO . 48.0 p90 -160.74 175.0 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.468 0.544 . . . . 1.17 112.468 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.87 147.08 48.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.579 -0.737 . . . . 2.55 109.36 178.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.8 159.5 41.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.951 0.405 . . . . 0.24 111.736 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.93 124.06 43.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 0.33 109.78 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.3 t -110.01 138.15 39.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.628 -0.26 . . . . 0.19 110.493 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG3' HG13 ' A' ' 91' ' ' VAL . 16.0 pttt -127.74 -179.16 4.79 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.826 -0.435 . . . . 1.14 109.826 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.9 mtt -130.86 131.38 44.53 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 121.144 -0.222 . . . . 0.41 110.53 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.55 91.85 3.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.961 0.41 . . . . 2.67 111.199 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.67 53.29 44.77 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 115.978 -0.555 . . . . 0.46 113.408 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.68 18.47 79.69 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.837 -0.697 . . . . 0.36 113.169 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -127.08 116.09 20.16 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.117 -0.697 . . . . 1.76 109.117 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.6 mt -73.8 117.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 110.367 -0.234 . . . . 0.22 110.367 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.49 HG13 ' HG3' ' A' ' 84' ' ' LYS . 2.7 p -117.75 129.54 74.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.45 0.643 . . . . 0.25 111.346 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.593 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -115.0 137.53 51.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.659 -0.701 . . . . 0.25 109.822 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -103.7 123.56 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.026 0.441 . . . . 1.19 111.32 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.511 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 87.7 m-85 -137.47 156.53 74.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.604 -0.725 . . . . 1.27 110.084 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.01 113.21 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.169 1.913 . . . . 0.36 111.943 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 59.29 21.36 9.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.679 -0.691 . . . . 1.5 111.539 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.676 ' CE1' H213 ' A' ' 201' ' ' CHO . 3.6 t80 -140.95 124.85 17.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.843 -0.617 . . . . 1.31 109.954 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.508 ' O ' ' HA ' ' A' ' 112' ' ' SER . 23.5 t60 -123.94 121.58 35.67 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.126 -0.488 . . . . 1.09 110.069 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.529 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 12.4 t60 -121.78 122.12 38.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.287 0.367 . . . . 0.67 111.035 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.9 p -128.85 132.0 47.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.162 -0.472 . . . . 0.31 110.453 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.84 137.56 51.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.226 -0.443 . . . . 0.26 110.367 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -157.35 175.82 13.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 1.38 111.104 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.8 mm -114.86 114.42 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.048 -0.524 . . . . 0.37 109.738 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.7 p -92.86 78.73 4.72 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.256 0.551 . . . . 1.37 110.434 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.5 -63.21 4.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.808 -0.71 . . . . 0.96 111.737 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -160.17 22.33 0.26 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.927 -0.654 . . . . 0.5 111.66 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -135.9 151.69 50.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.838 0.351 . . . . 1.22 110.558 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.0 tm? -91.64 122.34 34.12 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.105 -0.702 . . . . 0.82 109.105 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.6 p -127.48 121.22 56.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.333 0.587 . . . . 0.33 110.085 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -108.3 134.47 51.08 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.485 -0.779 . . . . 1.69 110.099 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 4.7 mp -113.52 126.28 70.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.827 -0.624 . . . . 0.37 109.678 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 2.0 m -126.8 108.37 10.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.126 -0.488 . . . . 0.37 110.446 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.665 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -93.94 133.71 37.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.915 -0.584 . . . . 0.27 110.022 179.191 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.8 p -131.21 96.71 4.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.985 0.422 . . . . 1.43 111.03 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.5 m 57.84 32.44 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.511 -0.768 . . . . 0.63 111.626 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.18 -44.07 1.47 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.662 -0.78 . . . . 0.46 113.585 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 70.4 t -69.17 124.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.028 0.442 . . . . 0.53 111.04 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.665 HG22 HG23 ' A' ' 113' ' ' THR . 46.0 t -100.1 110.78 27.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.699 -0.682 . . . . 0.97 111.31 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.414 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 41.6 t80 -98.6 134.85 40.97 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.866 -0.79 . . . . 1.22 108.866 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -133.98 140.34 46.67 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 120.623 0.249 . . . . 1.17 110.93 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.522 HH12 ' C3 ' ' A' ' 200' ' ' CHO . 15.4 ptt-85 -137.5 136.98 38.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.105 0.479 . . . . 2.48 110.126 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.499 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 90.5 m -113.13 125.82 54.78 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.585 -0.734 . . . . 0.43 109.957 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.5 m -124.89 141.32 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.147 -0.478 . . . . 0.38 110.573 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.404 ' HE2' ' HB2' ' A' ' 7' ' ' GLU . 12.9 pttm -81.46 155.29 25.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.977 -0.556 . . . . 1.45 110.359 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.588 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -101.08 124.84 47.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.299 0.571 . . . . 1.45 110.422 -179.696 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -141.25 168.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.069 -1.086 . . . . 0.35 108.069 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.516 -0.754 . . . . 1.27 110.286 178.935 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.889 ' C7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.93 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.582 0.23 . . . . 1.11 110.796 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -92.39 -23.4 19.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.561 -0.29 . . . . 1.24 110.982 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -63.62 145.95 54.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.077 -0.511 . . . . 0.26 112.045 -179.37 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 126.55 170.81 12.99 Favored Glycine 0 N--CA 1.438 -1.176 0 C-N-CA 120.54 -0.838 . . . . 0.21 112.406 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 6.9 ptmt -99.97 143.23 30.42 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.331 -0.989 . . . . 1.54 108.331 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 84.9 m-85 -125.77 146.67 49.67 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.633 0.254 . . . . 1.29 110.696 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -126.02 154.55 42.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.248 -0.433 . . . . 1.41 110.54 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -56.19 116.71 3.19 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 123.806 0.691 . . . . 1.86 111.083 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.9 tp10 -114.16 -55.26 2.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.138 -0.483 . . . . 1.46 110.541 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 m -146.82 156.83 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.56 -0.291 . . . . 1.01 111.01 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -145.21 155.02 43.01 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.753 -0.462 . . . . 1.72 109.753 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -148.1 139.91 23.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.192 -0.458 . . . . 1.44 110.172 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 60.63 48.08 7.66 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.601 -0.727 . . . . 0.84 111.373 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -76.4 -56.17 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.715 0.293 . . . . 1.39 111.008 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.414 ' HA ' HG22 ' A' ' 18' ' ' VAL . 11.5 m-20 -57.98 -46.12 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.966 -0.561 . . . . 1.3 111.22 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.16 -40.91 82.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.154 0.502 . . . . 1.46 110.557 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.588 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 87.2 t80 -65.05 -55.59 18.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.258 -0.883 . . . . 1.24 110.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 15' ' ' ASP . 28.5 m -61.99 -34.91 65.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 0.26 111.85 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -72.89 -28.44 62.49 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.85 -0.34 . . . . 1.18 111.271 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -77.78 -39.36 44.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.581 -0.281 . . . . 0.88 111.184 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 17' ' ' PHE . 17.0 pt -80.97 -6.48 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.489 -0.323 . . . . 0.39 111.748 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.3 37.8 58.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.667 -0.778 . . . . 0.39 113.155 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.729 HD12 ' HD2' ' A' ' 24' ' ' PRO . 25.2 tp -73.51 136.3 78.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.117 -0.327 . . . . 0.31 110.117 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.729 ' HD2' HD12 ' A' ' 23' ' ' LEU . 33.6 Cg_endo -66.93 141.23 57.73 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.57 2.18 . . . . 0.37 111.74 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.08 -35.56 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.39 111.353 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -41.32 71.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 2.03 111.562 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -88.92 -33.84 17.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.991 -0.549 . . . . 0.94 110.717 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.562 HG12 HD23 ' A' ' 23' ' ' LEU . 59.4 mt -56.89 -53.3 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.16 0.505 . . . . 0.37 110.841 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -73.85 -18.41 60.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.775 -0.648 . . . . 1.73 111.356 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.411 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 11.2 tpt -82.29 -31.91 29.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.155 -0.475 . . . . 0.97 110.522 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.629 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -111.57 29.8 8.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.834 -0.698 . . . . 0.51 114.165 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -112.65 136.87 51.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.991 0.895 . . . . 2.27 110.751 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 62.51 15.45 7.87 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.503 -0.771 . . . . 1.78 111.176 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -87.36 152.22 22.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.124 -0.489 . . . . 1.16 110.5 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 92.06 8.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.102 0.477 . . . . 2.49 111.39 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' HIS . 3.5 mp -91.23 117.11 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.131 -0.692 . . . . 0.66 109.131 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -86.53 136.38 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.314 -0.403 . . . . 0.37 110.377 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 50' ' ' THR . 97.9 m -118.62 106.25 12.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.649 -0.25 . . . . 0.33 110.835 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -95.15 119.77 34.23 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.95 -0.389 . . . . 1.39 109.95 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 48' ' ' THR . 57.5 t -114.46 129.66 70.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 123.507 0.505 . . . . 0.22 111.72 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.477 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 47.9 t -114.4 128.54 71.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.627 -0.879 . . . . 0.95 108.627 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.577 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 9.3 tt0 -86.7 108.2 18.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.251 0.548 . . . . 2.06 111.072 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -120.81 73.55 1.02 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.501 -0.772 . . . . 1.73 109.328 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.18 -102.38 0.78 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 111.095 -0.802 . . . . 0.4 111.095 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.82 11.38 15.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.686 0.755 . . . . 0.43 109.237 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 27.7 t70 -109.12 111.06 22.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.64 -1.163 . . . . 1.36 109.368 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -108.23 129.13 55.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.239 0.542 . . . . 1.0 110.635 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.477 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -92.12 117.65 30.06 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.783 -0.644 . . . . 0.56 111.137 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -99.39 104.81 16.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.109 0.481 . . . . 0.42 109.748 179.181 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.72 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.6 m -106.88 119.23 38.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 0.35 110.789 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -109.73 118.48 36.65 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.24 0.338 . . . . 1.62 110.302 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 96.7 m-70 -107.2 132.16 53.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.022 0.439 . . . . 0.37 110.609 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 9.4 t80 -105.98 137.41 19.36 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.603 -0.726 . . . . 1.23 110.663 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.25 114.68 3.7 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.296 1.997 . . . . 0.46 111.84 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.42 30.57 76.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.974 -0.631 . . . . 0.46 112.707 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.38 -164.64 11.08 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.364 -0.922 . . . . 0.41 113.216 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.47 146.12 40.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.124 0.487 . . . . 3.34 111.699 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 t -100.74 159.43 15.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.127 -0.488 . . . . 0.39 110.406 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.55 136.7 39.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.823 -0.626 . . . . 0.49 109.494 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -147.17 117.99 7.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.92 0.39 . . . . 0.31 111.323 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.482 ' ND2' ' H61' ' A' ' 201' ' ' CHO . 0.2 OUTLIER -131.4 128.21 39.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.274 0.559 . . . . 1.72 110.624 179.196 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.457 ' HB3' HG22 ' A' ' 48' ' ' THR . 64.0 p -101.27 140.33 35.71 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.251 -0.886 . . . . 1.04 109.379 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 51.8 p90 -142.75 145.98 33.84 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.64 -0.424 . . . . 0.88 111.256 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 55.5 m -112.03 131.28 55.51 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.21 -0.663 . . . . 0.25 109.21 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.0 mm -55.26 128.5 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 120.744 0.307 . . . . 0.24 110.967 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 71.37 23.19 4.02 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.032 0.933 . . . . 1.1 110.317 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.8 tptt -136.87 144.39 43.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.418 -0.81 . . . . 1.59 110.059 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -78.17 139.45 38.97 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.547 -0.538 . . . . 2.55 109.547 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.53 150.03 51.92 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.537 0.569 . . . . 0.31 112.537 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.2 114.65 20.86 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.345 -0.843 . . . . 1.95 108.796 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.545 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.2 mtt -117.08 168.78 9.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.525 0.679 . . . . 0.26 112.38 -177.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.588 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 8.4 tt0 -156.57 141.92 17.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.839 -1.073 . . . . 1.47 108.592 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.76 HG22 H162 ' A' ' 201' ' ' CHO . 30.8 p -100.87 174.21 6.14 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.802 -0.359 . . . . 0.36 110.204 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.671 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 44.8 mtt -72.81 -14.44 61.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.987 0.422 . . . . 1.05 110.387 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.59 -7.69 84.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.139 -0.553 . . . . 0.48 111.999 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.45 27.16 12.13 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.71 -0.757 . . . . 0.48 112.823 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.588 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 7.5 mtp85 -90.92 121.9 33.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.949 0.374 . . . . 0.85 110.23 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -100.4 121.74 42.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.812 -0.81 . . . . 1.76 108.812 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.827 ' HZ ' H181 ' A' ' 201' ' ' CHO . 48.2 p90 -157.29 173.6 16.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.238 0.542 . . . . 1.17 112.269 -177.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 138.7 46.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.876 -0.787 . . . . 2.55 108.876 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.23 162.3 41.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.741 0.305 . . . . 0.24 111.187 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -102.48 140.43 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.291 -0.413 . . . . 0.33 110.096 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.76 145.27 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.129 -0.487 . . . . 0.19 110.169 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -136.79 174.41 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.93 -0.396 . . . . 1.14 109.93 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.4 ' HE2' HG12 ' A' ' 90' ' ' ILE . 1.7 mtt -129.5 133.44 47.27 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.119 -0.326 . . . . 0.41 110.119 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -135.72 103.18 5.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.993 0.425 . . . . 2.67 111.131 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.75 36.24 61.83 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.885 -0.598 . . . . 0.46 113.076 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.68 23.67 66.73 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.952 -0.642 . . . . 0.36 112.54 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -127.56 127.11 43.37 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.535 -0.543 . . . . 1.76 109.535 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' THR . 2.2 mt -82.57 114.31 23.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.926 -0.398 . . . . 0.22 109.926 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.5 p -117.55 131.94 68.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.424 0.631 . . . . 0.25 110.787 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.811 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -107.56 144.17 34.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.553 -0.748 . . . . 0.25 110.244 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -97.3 121.56 39.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.444 -0.343 . . . . 1.19 110.87 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.541 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 70.5 m-85 -147.78 153.61 42.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.52 -0.764 . . . . 1.27 110.518 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.43 114.22 3.74 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.272 1.981 . . . . 0.36 110.92 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 65.08 10.59 6.46 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.249 0.62 . . . . 1.5 111.768 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.604 ' CZ ' H213 ' A' ' 201' ' ' CHO . 5.8 t80 -127.78 128.51 45.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.228 -0.656 . . . . 1.31 109.228 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.736 ' O ' ' HA ' ' A' ' 112' ' ' SER . 75.4 t60 -125.8 100.85 6.59 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.257 -0.883 . . . . 1.09 109.498 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.843 ' ND1' H122 ' A' ' 201' ' ' CHO . 6.0 t60 -99.23 120.98 40.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.67 110.717 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 20.3 p -134.76 128.79 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.997 0.427 . . . . 0.31 111.542 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.34 130.92 54.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.727 -0.67 . . . . 0.26 110.879 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -150.18 172.36 15.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 1.38 110.808 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 44.5 mm -111.03 119.08 58.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.026 -0.731 . . . . 0.37 109.026 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.8 m -131.2 107.25 8.87 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 110.185 -0.302 . . . . 1.37 110.185 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.37 28.29 55.92 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.457 -0.657 . . . . 0.96 111.457 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.31 27.09 66.59 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.229 -0.51 . . . . 0.5 111.94 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -138.44 144.3 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.75 0.31 . . . . 1.22 111.257 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 3.1 tm? -82.69 113.8 20.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.962 -0.755 . . . . 0.82 108.962 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.18 108.34 23.62 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 109.004 -0.739 . . . . 0.33 109.004 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -96.61 137.2 36.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.608 -0.724 . . . . 1.69 110.131 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.42 119.98 56.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.517 -0.765 . . . . 0.37 109.07 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.736 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 0.0 OUTLIER -128.42 116.72 20.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.798 -0.637 . . . . 0.37 110.886 -177.675 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.591 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -89.05 139.97 29.92 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.654 -0.703 . . . . 0.27 110.884 179.475 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.4 p -130.96 96.09 3.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.78 -0.646 . . . . 1.43 110.242 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.0 m 54.02 30.88 12.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.711 -0.677 . . . . 0.63 111.667 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 116.28 -28.76 7.39 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.431 -0.89 . . . . 0.46 113.125 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -80.55 124.58 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.084 0.442 . . . . 0.53 110.481 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.557 HG22 HG23 ' A' ' 113' ' ' THR . 52.0 t -98.42 110.46 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.975 0.417 . . . . 0.97 111.616 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -98.08 130.98 44.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.532 -0.758 . . . . 1.22 109.762 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -126.89 144.65 50.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.888 0.375 . . . . 1.17 111.39 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.434 ' NH1' ' H22' ' A' ' 200' ' ' CHO . 16.8 ptt180 -144.92 121.79 11.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.233 -0.44 . . . . 2.48 111.078 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.449 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 20.9 m -98.75 129.25 45.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.927 -0.579 . . . . 0.43 110.002 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 m -124.59 139.47 53.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.475 -0.329 . . . . 0.38 110.703 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 17.7 pttm -82.8 150.25 26.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.287 -0.415 . . . . 1.45 110.04 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.531 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -96.57 123.65 40.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.136 0.493 . . . . 1.45 110.53 -179.643 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -139.24 168.99 17.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.78 -0.646 . . . . 0.35 109.504 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 119.125 -0.464 . . . . 1.27 110.114 178.808 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.836 H121 H212 ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.843 H122 ' ND1' ' A' ' 99' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.41 0.148 . . . . 1.11 111.186 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -93.51 -22.23 18.98 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.951 -0.299 . . . . 1.24 111.464 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.456 HG23 ' HA ' ' A' ' 41' ' ' VAL . 0.6 OUTLIER -68.08 139.09 56.21 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.74 0.305 . . . . 0.26 111.259 -179.437 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 170.6 11.91 Favored Glycine 0 N--CA 1.439 -1.131 0 C-N-CA 120.906 -0.664 . . . . 0.21 111.993 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -97.32 142.96 28.56 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.558 -0.905 . . . . 1.54 108.558 178.099 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.483 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 80.4 m-85 -128.09 140.58 51.87 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.694 -0.23 . . . . 1.29 110.397 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -124.32 142.09 51.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 1.41 110.944 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -47.92 119.37 2.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 114.956 -1.02 . . . . 1.86 111.799 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.4 -50.85 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 1.46 110.783 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -147.86 157.67 43.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.569 -0.287 . . . . 1.01 110.827 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -147.04 155.18 42.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.568 -0.53 . . . . 1.72 109.568 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 24.3 tt0 -147.35 137.41 23.1 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.999 -0.546 . . . . 1.44 110.02 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 64.06 37.52 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.247 -0.888 . . . . 0.84 111.257 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -64.69 -62.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 1.39 110.992 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.527 ' HA ' HG22 ' A' ' 18' ' ' VAL . 7.5 m-20 -57.93 -40.1 79.63 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.315 -0.402 . . . . 1.3 110.963 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -43.79 94.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.095 0.474 . . . . 1.46 110.513 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.445 ' O ' HG12 ' A' ' 21' ' ' ILE . 63.1 t80 -66.12 -52.63 46.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.654 -0.703 . . . . 1.24 111.297 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.4 m -62.38 -34.86 66.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.26 111.622 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.68 -25.04 58.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.991 0.424 . . . . 1.18 110.405 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -80.85 -44.0 19.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 0.88 111.451 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 17' ' ' PHE . 14.6 pt -77.96 -6.56 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.895 0.331 . . . . 0.39 111.895 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.49 32.29 42.74 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.098 -0.572 . . . . 0.39 113.544 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.752 HD11 H152 ' A' ' 200' ' ' CHO . 17.8 tp -71.68 132.21 85.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.886 0.343 . . . . 0.31 110.251 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' HD12 ' A' ' 23' ' ' LEU . 31.1 Cg_endo -65.2 140.23 63.93 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 121.878 1.718 . . . . 0.37 111.553 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.91 -39.58 54.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.775 0.658 . . . . 0.39 112.775 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 30' ' ' MET . 1.4 m-20 -62.3 -32.81 73.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.59 -0.277 . . . . 2.03 111.616 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 61.3 mmtt -86.49 -30.8 21.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.711 -0.478 . . . . 0.94 109.711 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.6 HG12 HD23 ' A' ' 23' ' ' LEU . 75.3 mt -61.53 -60.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.501 -0.772 . . . . 0.37 110.613 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -62.86 -24.68 67.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.587 -0.733 . . . . 1.73 111.295 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 7.8 tpt -73.46 -45.72 52.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.439 -0.8 . . . . 0.97 110.342 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.602 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -97.73 25.65 26.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.51 114.076 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -114.18 142.8 45.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 117.439 0.619 . . . . 2.27 110.875 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 60.04 19.62 8.78 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.106 -0.952 . . . . 1.78 110.475 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.7 m -98.8 138.71 35.56 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.485 -0.78 . . . . 1.16 110.415 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 89.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 2.49 111.405 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mm -85.5 122.02 37.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.019 -0.537 . . . . 0.66 109.911 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.7 t -100.0 131.41 47.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.88 -0.415 . . . . 0.37 109.88 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.673 ' HA ' ' O ' ' A' ' 50' ' ' THR . 52.0 m -113.87 108.98 17.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.33 110.342 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -97.42 116.52 29.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.883 -0.414 . . . . 1.39 109.883 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 48' ' ' THR . 79.1 t -111.22 129.98 65.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 123.534 0.521 . . . . 0.22 111.104 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.456 ' HA ' HG23 ' A' ' 3' ' ' THR . 89.5 t -120.64 134.9 62.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.289 -1.004 . . . . 0.95 108.289 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -98.25 115.57 28.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.176 0.512 . . . . 2.06 111.377 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -128.06 81.6 2.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.639 -0.71 . . . . 1.73 109.569 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.31 -91.98 0.75 Allowed Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.96 -0.856 . . . . 0.4 110.96 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' OD1' ' HB ' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -133.61 10.11 4.0 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.241 -0.651 . . . . 0.43 109.241 178.015 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 18.8 t70 -105.4 109.35 21.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.885 . . . . 1.36 109.032 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -100.03 130.8 46.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.931 0.396 . . . . 1.0 110.171 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 73.2 p -93.46 121.07 34.48 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.936 -0.575 . . . . 0.56 110.726 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.659 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -103.31 109.25 20.79 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.647 -0.501 . . . . 0.42 109.647 178.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.673 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.5 m -111.36 120.36 41.95 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.042 -0.526 . . . . 0.35 110.99 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -109.66 117.95 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.925 0.393 . . . . 1.62 110.074 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -101.62 134.11 45.27 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.93 -0.577 . . . . 0.37 110.522 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 3.7 t80 -112.2 125.24 30.48 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 115.093 -0.958 . . . . 1.23 109.965 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.7 Cg_endo -62.71 115.22 2.78 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.471 2.114 . . . . 0.46 112.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.99 28.55 72.96 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.899 -0.591 . . . . 0.46 113.263 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.5 -165.57 11.95 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.358 -0.925 . . . . 0.41 113.303 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.42 143.84 46.59 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.1 0.476 . . . . 3.34 111.798 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.0 t -104.1 159.46 15.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.877 -0.602 . . . . 0.39 110.082 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.99 139.16 42.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.18 -0.304 . . . . 0.49 110.18 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -145.71 114.3 6.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.861 0.362 . . . . 0.31 111.406 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.8 129.45 44.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.146 0.498 . . . . 1.72 110.693 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.8 p -105.54 141.47 36.96 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.432 -0.804 . . . . 1.04 109.544 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.602 ' CE1' ' H5 ' ' A' ' 201' ' ' CHO . 45.1 p90 -140.91 141.72 34.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.095 0.474 . . . . 0.88 112.185 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.553 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 52.0 m -104.85 130.75 52.93 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.134 -0.691 . . . . 0.25 109.134 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.558 HG23 ' HA ' ' A' ' 84' ' ' LYS . 45.4 mm -57.01 124.37 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.042 0.448 . . . . 0.24 110.955 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 73.26 27.8 1.9 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.93 -1.032 . . . . 1.1 109.923 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 43.6 tptt -139.36 147.72 41.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.273 -0.876 . . . . 1.59 110.577 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.93 139.81 55.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.066 -0.716 . . . . 2.55 109.066 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -134.41 141.51 46.85 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.311 0.577 . . . . 0.31 112.376 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.43 113.49 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.72 -1.127 . . . . 1.95 108.466 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.506 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 27.1 mtt -119.73 169.93 9.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.428 0.632 . . . . 0.26 112.495 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.601 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 7.1 tt0 -158.71 140.71 13.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.668 -1.151 . . . . 1.47 108.338 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.839 HG22 H162 ' A' ' 201' ' ' CHO . 37.0 p -91.27 -177.26 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.946 0.403 . . . . 0.36 111.014 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.518 ' SD ' H122 ' A' ' 200' ' ' CHO . 46.3 mtp -83.55 -5.13 59.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.223 -0.444 . . . . 1.05 109.874 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.538 ' HA2' H161 ' A' ' 200' ' ' CHO . . . -93.07 -18.55 39.36 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.281 -0.728 . . . . 0.48 111.281 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.46 19.2 8.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.152 -0.547 . . . . 0.48 113.239 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.619 ' HD2' ' C27' ' A' ' 201' ' ' CHO . 14.7 mtp85 -85.2 123.54 30.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.062 0.431 . . . . 0.85 110.169 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.09 122.3 44.38 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.884 -0.784 . . . . 1.76 108.884 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.806 ' HZ ' H181 ' A' ' 201' ' ' CHO . 35.4 p90 -153.4 175.88 12.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.076 0.465 . . . . 1.17 111.664 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.88 137.6 46.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.076 -0.712 . . . . 2.55 109.076 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.59 161.41 41.75 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.814 0.34 . . . . 0.24 111.116 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.22 132.94 49.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.03 -0.532 . . . . 0.33 109.645 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.49 142.31 32.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.415 -0.357 . . . . 0.19 110.052 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.558 ' HA ' HG23 ' A' ' 65' ' ' ILE . 7.2 pttt -135.91 -176.41 4.3 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.451 -0.574 . . . . 1.14 109.451 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.2 mtt -125.16 150.38 46.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.651 0.263 . . . . 0.41 110.765 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.1 78.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.895 0.379 . . . . 2.67 111.131 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.82 50.6 10.77 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.549 -0.834 . . . . 0.46 113.124 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.9 15.44 81.19 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.888 -0.673 . . . . 0.36 112.82 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -127.06 124.32 39.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.952 -0.758 . . . . 1.76 108.952 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.0 mt -78.42 121.48 31.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.528 0.204 . . . . 0.22 110.982 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' A' ' 84' ' ' LYS . 7.4 p -118.28 126.54 75.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.389 0.614 . . . . 0.25 110.895 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.904 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -101.46 137.59 39.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.747 -0.661 . . . . 0.25 109.835 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -97.06 122.09 39.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.095 0.474 . . . . 1.19 111.265 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.483 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 73.4 m-85 -145.63 151.92 47.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.166 -0.925 . . . . 1.27 110.363 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -72.87 113.27 3.72 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.175 1.917 . . . . 0.36 111.702 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.46 ' O ' ' HA ' ' A' ' 114' ' ' SER . 0.9 OUTLIER 66.03 16.53 10.5 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.778 -0.646 . . . . 1.5 110.855 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.775 ' CZ ' H213 ' A' ' 201' ' ' CHO . 2.2 t80 -136.94 128.52 28.63 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.724 -0.843 . . . . 1.31 108.724 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.604 ' O ' ' HA ' ' A' ' 112' ' ' SER . 24.5 t60 -126.93 116.59 21.04 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.36 -0.382 . . . . 1.09 110.11 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.54 ' CD2' ' H21' ' A' ' 201' ' ' CHO . 12.2 t60 -119.58 120.36 36.48 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.989 0.181 . . . . 0.67 110.759 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.7 p -129.9 135.6 48.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.542 -0.299 . . . . 0.31 111.125 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.86 127.85 54.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.963 -0.562 . . . . 0.26 110.252 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.89 170.33 18.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.044 0.45 . . . . 1.38 110.858 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 34.6 mm -110.35 115.51 49.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.682 -0.69 . . . . 0.37 109.181 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.3 m -133.31 104.08 6.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.098 0.475 . . . . 1.37 110.452 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.65 28.3 27.16 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.533 -0.627 . . . . 0.96 111.533 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.84 21.59 79.65 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.161 -0.776 . . . . 0.5 111.161 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -133.96 152.4 51.84 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.95 0.405 . . . . 1.22 110.714 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -92.19 116.23 28.77 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.614 -0.884 . . . . 0.82 108.614 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 4.5 p -121.73 118.61 56.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 121.16 0.505 . . . . 0.33 110.266 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -103.9 141.01 36.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.616 -0.72 . . . . 1.69 110.545 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.505 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.1 mp -122.24 120.79 62.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.651 -0.704 . . . . 0.37 109.816 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.604 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.5 m -119.74 109.36 15.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.37 110.279 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -97.07 136.07 38.15 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.002 -0.544 . . . . 0.27 110.639 179.71 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 67.0 m -147.02 110.87 5.0 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.335 0.397 . . . . 1.43 110.901 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.5 m 55.32 33.85 21.61 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.552 -0.749 . . . . 0.63 112.617 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.76 -26.46 21.02 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.42 -0.895 . . . . 0.46 113.658 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 113' ' ' THR . 87.7 t -83.38 126.5 40.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.353 0.576 . . . . 0.53 111.075 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.447 HG23 HG23 ' A' ' 111' ' ' ILE . 6.7 p -105.97 109.96 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.752 0.787 . . . . 0.97 110.883 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.413 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 27.7 t80 -95.33 116.45 28.79 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.484 -0.78 . . . . 1.22 110.384 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.505 ' HG2' HG13 ' A' ' 111' ' ' ILE . 68.0 mttt -106.55 143.71 34.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.151 -0.477 . . . . 1.17 110.568 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -143.84 122.71 12.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.807 -0.633 . . . . 2.48 109.888 178.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 33.7 m -106.12 123.51 48.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.734 -0.667 . . . . 0.43 110.042 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.7 m -123.72 132.12 53.75 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.873 -0.417 . . . . 0.38 109.873 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 12.6 pttm -77.31 154.0 33.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 1.45 110.27 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 127.87 42.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.954 -0.567 . . . . 1.45 110.112 -179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -141.57 166.4 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.015 -0.539 . . . . 0.35 110.064 178.729 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 117.831 -1.081 . . . . 1.27 108.937 178.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.972 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.972 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.574 0.226 . . . . 1.11 111.45 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -102.3 -24.31 13.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.717 0.266 . . . . 1.24 111.717 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' ' 42' ' ' GLN . 1.3 m -55.74 136.86 50.64 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.925 0.393 . . . . 0.26 111.621 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.55 ' HA3' ' HE3' ' A' ' 125' ' ' LYS . . . 134.73 172.37 12.77 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.454 -0.879 . . . . 0.21 112.293 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.2 OUTLIER -100.85 145.72 28.22 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.751 -0.833 . . . . 1.54 108.751 178.471 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 93.5 m-85 -127.12 141.63 51.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.48 -0.327 . . . . 1.29 110.808 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -126.9 159.19 34.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.827 -0.624 . . . . 1.41 110.086 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.24 128.29 33.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 123.773 0.671 . . . . 1.86 111.029 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 122' ' ' THR . 12.0 tp10 -127.07 -52.62 1.41 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.747 -0.66 . . . . 1.46 110.051 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -152.49 163.12 40.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.995 -0.548 . . . . 1.01 110.256 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 1.1 p30 -156.61 152.71 27.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.757 -0.46 . . . . 1.72 109.757 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -141.31 140.01 33.73 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.126 -0.488 . . . . 1.44 109.895 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 60.9 31.65 20.0 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.045 0.841 . . . . 0.84 111.209 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 49.2 t80 -58.5 -62.61 1.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.611 0.226 . . . . 1.39 111.611 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.53 ' HA ' HG22 ' A' ' 18' ' ' VAL . 6.1 m-20 -60.95 -42.94 99.22 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.583 -0.28 . . . . 1.3 110.86 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -38.7 76.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.87 0.367 . . . . 1.46 110.604 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' HA ' HG11 ' A' ' 117' ' ' VAL . 74.0 t80 -69.23 -55.8 9.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.048 -0.524 . . . . 1.24 111.289 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.0 m -60.06 -36.25 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 0.26 111.791 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -72.35 -30.27 64.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.964 0.411 . . . . 1.18 110.303 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.71 -45.16 38.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 0.88 111.422 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.4 pt -74.04 -11.94 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.39 111.531 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.7 29.7 34.69 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.714 -0.755 . . . . 0.39 112.998 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.704 HD11 H152 ' A' ' 200' ' ' CHO . 19.8 tp -68.1 133.26 91.73 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.169 -0.678 . . . . 0.31 109.169 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.653 ' HD2' HD12 ' A' ' 23' ' ' LEU . 29.7 Cg_endo -65.43 137.55 51.42 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.157 1.904 . . . . 0.37 111.447 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.66 -35.65 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.195 0.522 . . . . 0.39 111.164 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 30' ' ' MET . 33.6 t70 -56.89 -37.9 72.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.024 -0.989 . . . . 2.03 111.085 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 40.9 mmtt -90.63 -32.95 16.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.366 -0.379 . . . . 0.94 111.179 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.698 HG12 HD23 ' A' ' 23' ' ' LEU . 87.1 mt -57.52 -60.46 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.816 -0.629 . . . . 0.37 111.246 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.71 -22.66 66.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.871 -0.604 . . . . 1.73 110.652 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.469 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 8.0 tpt -71.47 -37.14 71.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.355 -0.839 . . . . 0.97 110.032 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.623 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -111.1 25.39 14.17 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.565 -0.826 . . . . 0.51 114.057 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -105.29 135.81 45.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.621 0.71 . . . . 2.27 110.957 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.59 23.94 9.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.293 -0.867 . . . . 1.78 110.571 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.2 m -91.54 149.36 21.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.498 -0.774 . . . . 1.16 110.341 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 76.8 4.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.222 0.534 . . . . 2.49 111.531 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.08 117.32 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.836 -0.62 . . . . 0.66 109.648 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 9.5 t -97.69 122.85 49.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 116.07 -0.514 . . . . 0.37 109.772 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' A' ' 50' ' ' THR . 40.7 m -109.35 106.1 15.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.173 -0.467 . . . . 0.33 110.375 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -95.94 118.35 32.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.559 -0.291 . . . . 1.39 110.44 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.01 125.29 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 123.811 0.694 . . . . 0.22 111.264 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.452 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 96.6 t -110.2 126.61 67.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.903 -0.777 . . . . 0.95 108.903 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HB3' ' OG1' ' A' ' 3' ' ' THR . 13.5 pt20 -81.97 120.54 25.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.225 0.536 . . . . 2.06 111.967 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.437 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 1.3 t-20 -142.19 79.49 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.806 -0.813 . . . . 1.73 108.806 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.1 -101.46 0.43 Allowed Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 114.928 -1.033 . . . . 0.4 112.113 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.47 -17.86 13.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 120.878 -0.329 . . . . 0.43 111.473 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.553 ' HB3' ' OG1' ' A' ' 64' ' ' THR . 0.2 OUTLIER -87.2 110.85 20.44 Favored 'General case' 0 N--CA 1.421 -1.886 0 CA-C-O 121.601 0.715 . . . . 1.36 111.824 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -101.53 133.12 46.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.113 -0.948 . . . . 1.0 109.477 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.452 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.6 OUTLIER -97.84 119.53 36.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.96 0.41 . . . . 0.56 111.071 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.51 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -99.14 104.52 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.953 -0.567 . . . . 0.42 109.806 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.4 m -103.05 118.06 35.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.922 -0.581 . . . . 0.35 110.996 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -103.94 119.48 39.01 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.782 0.325 . . . . 1.62 110.399 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.32 128.43 50.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.081 0.467 . . . . 0.37 110.108 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.551 ' CZ ' H211 ' A' ' 200' ' ' CHO . 2.4 t80 -109.91 124.05 34.59 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.653 -0.703 . . . . 1.23 110.417 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.469 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.3 Cg_endo -60.12 115.07 2.39 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.657 2.238 . . . . 0.46 111.909 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.62 27.34 67.99 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.763 -0.653 . . . . 0.46 112.793 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.24 -169.13 13.38 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.969 -1.11 . . . . 0.41 113.571 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.57 147.61 51.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.197 0.522 . . . . 3.34 112.013 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 t -105.81 159.48 15.97 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.251 -0.648 . . . . 0.39 109.251 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.8 m -146.24 120.13 9.32 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.72 0.295 . . . . 0.49 110.239 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 m -121.68 124.52 44.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.616 -0.265 . . . . 0.31 110.803 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.43 133.99 54.61 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.127 0.489 . . . . 1.72 110.946 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.6 p -111.88 127.29 55.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.568 -0.742 . . . . 1.04 110.18 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.5 ' CD1' ' H5 ' ' A' ' 201' ' ' CHO . 45.7 p90 -136.16 151.97 50.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 0.88 110.847 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 97.9 m -120.97 133.03 55.26 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.038 -0.528 . . . . 0.25 109.995 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.7 mm -57.23 127.27 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.829 0.347 . . . . 0.24 111.049 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t70 70.76 24.24 4.3 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.912 0.885 . . . . 1.1 109.629 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 17.9 tptm -136.93 141.32 42.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.976 -1.011 . . . . 1.59 110.82 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' O ' ' HE2' ' A' ' 67' ' ' LYS . 16.6 pt-20 -69.72 133.88 48.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.368 -0.605 . . . . 2.55 109.368 177.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -127.72 159.63 34.18 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.109 0.48 . . . . 0.31 111.863 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -102.65 124.55 48.4 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.544 -0.91 . . . . 1.95 108.544 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.648 ' SD ' H191 ' A' ' 201' ' ' CHO . 6.1 mtt -129.34 162.18 28.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.763 0.792 . . . . 0.26 112.157 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.683 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -148.3 135.17 20.03 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.128 -1.434 . . . . 1.47 107.128 178.181 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.901 HG22 H162 ' A' ' 201' ' ' CHO . 69.7 p -87.68 176.27 7.5 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.546 -0.462 . . . . 0.36 110.724 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.592 ' HB2' ' H17' ' A' ' 200' ' ' CHO . 20.2 mtp -79.53 -5.62 55.25 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.236 -0.653 . . . . 1.05 109.236 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.22 -11.9 58.04 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.657 -0.701 . . . . 0.48 111.659 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.95 29.79 6.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.149 -0.548 . . . . 0.48 113.301 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.683 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 22.0 mtp85 -97.52 119.3 35.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.986 0.393 . . . . 0.85 110.872 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -98.09 122.5 41.3 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.802 -0.814 . . . . 1.76 108.802 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.815 ' HZ ' H181 ' A' ' 201' ' ' CHO . 51.2 p90 -156.36 169.6 24.22 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.633 0.73 . . . . 1.17 112.704 -178.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.06 137.39 52.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.924 -1.035 . . . . 2.55 108.966 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.63 158.63 44.34 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.934 0.397 . . . . 0.24 111.173 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -104.2 135.7 45.19 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.939 -0.573 . . . . 0.33 109.851 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 t -116.09 145.17 22.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.181 -0.463 . . . . 0.19 110.739 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.458 ' CG ' HG13 ' A' ' 91' ' ' VAL . 15.0 pttt -133.94 175.78 9.16 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.559 -0.534 . . . . 1.14 109.559 179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.0 mtt -128.94 125.66 37.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.846 0.355 . . . . 0.41 111.124 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 6.6 pt-20 -118.14 89.22 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.057 -0.52 . . . . 2.67 111.507 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.64 50.24 44.26 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.061 -0.59 . . . . 0.46 113.074 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.07 17.66 79.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.857 -0.687 . . . . 0.36 112.746 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -124.03 116.87 23.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.534 -0.543 . . . . 1.76 109.534 179.612 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.1 mt -77.71 110.95 13.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.0 -0.545 . . . . 0.22 110.621 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.458 HG13 ' CG ' ' A' ' 84' ' ' LYS . 3.4 p -113.97 131.99 64.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.151 0.5 . . . . 0.25 110.544 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -113.75 143.66 44.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.856 -0.611 . . . . 0.25 110.535 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -96.79 126.84 42.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.243 -0.435 . . . . 1.19 111.403 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.507 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 82.4 m-85 -143.68 152.04 55.13 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 1.27 109.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -68.93 114.11 3.46 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 121.86 1.706 . . . . 0.36 112.306 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 114' ' ' SER . 62.3 t30 62.43 22.91 13.56 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.934 0.873 . . . . 1.5 110.549 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.598 ' CZ ' H213 ' A' ' 201' ' ' CHO . 3.7 t80 -142.01 121.23 13.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.344 -0.844 . . . . 1.31 109.769 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -114.06 110.92 20.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.421 -0.585 . . . . 1.09 109.421 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.482 ' ND1' H122 ' A' ' 201' ' ' CHO . 3.4 t60 -115.15 122.88 47.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.228 0.33 . . . . 0.67 111.37 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.7 p -131.89 130.64 41.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.874 -0.603 . . . . 0.31 110.758 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.0 130.26 56.55 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.693 -0.484 . . . . 0.26 109.693 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -155.11 171.27 20.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.012 0.434 . . . . 1.38 111.037 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.7 mm -112.54 128.3 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.598 -0.728 . . . . 0.37 110.074 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.8 m -142.68 116.05 9.03 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.866 -0.42 . . . . 1.37 109.866 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.15 29.31 66.81 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.756 -0.735 . . . . 0.96 111.596 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.93 23.2 78.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.003 -0.618 . . . . 0.5 111.801 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.16 148.67 52.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 1.22 110.891 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.9 tm? -90.91 124.8 35.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.939 -0.763 . . . . 0.82 108.939 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.7 p -130.87 114.1 26.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 121.428 0.632 . . . . 0.33 110.431 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -104.24 120.84 42.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.574 -0.739 . . . . 1.69 109.801 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.37 130.24 48.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.113 -0.494 . . . . 0.37 109.765 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 m -125.33 104.5 8.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.087 -0.506 . . . . 0.37 110.924 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -95.39 134.59 38.02 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.676 -0.49 . . . . 0.27 109.676 178.492 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.512 ' O ' HG12 ' A' ' 117' ' ' VAL . 6.9 t -153.07 119.54 5.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.921 0.391 . . . . 1.43 110.478 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 m 59.9 25.29 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.705 -0.679 . . . . 0.63 111.983 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.12 -27.24 20.22 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.473 -0.87 . . . . 0.46 113.279 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 114' ' ' SER . 1.7 p -80.31 134.87 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.902 0.382 . . . . 0.53 110.244 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.98 115.03 48.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.317 0.579 . . . . 0.97 111.425 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.411 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 39.4 t80 -98.94 132.55 44.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.871 -0.604 . . . . 1.22 110.149 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -130.37 139.47 50.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.355 -0.384 . . . . 1.17 110.009 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.0 ptt85 -144.48 123.67 12.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.296 0.569 . . . . 2.48 110.843 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 2.8 m -93.26 125.98 38.13 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.12 -0.945 . . . . 0.43 109.899 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m -120.33 131.1 54.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.757 -0.46 . . . . 0.38 109.757 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.4 pttm -80.03 148.24 31.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.317 -0.401 . . . . 1.45 110.37 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.55 ' HE3' ' HA3' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -94.66 123.1 37.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.212 0.53 . . . . 1.45 110.843 -179.134 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.9 167.03 14.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.717 -0.674 . . . . 0.35 109.623 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.63 -0.7 . . . . 1.27 110.165 178.642 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 1.158 ' C7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 1.158 H262 ' C7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.713 0.292 . . . . 1.11 111.456 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -93.96 -27.15 16.51 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.963 -0.562 . . . . 1.24 110.851 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.473 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.7 m -58.72 140.08 55.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.26 111.329 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.495 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 132.97 172.53 13.03 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 119.951 -1.119 . . . . 0.21 112.258 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -101.99 143.67 31.56 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.156 -0.683 . . . . 1.54 109.156 178.644 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.639 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 74.2 m-85 -129.18 139.88 51.73 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.347 -0.388 . . . . 1.29 110.497 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -124.83 151.91 44.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.263 -0.643 . . . . 1.41 109.263 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.419 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 28.4 t80 -48.55 118.96 2.76 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.742 0.651 . . . . 1.86 112.034 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.524 ' OE1' ' HB3' ' A' ' 124' ' ' LYS . 0.8 OUTLIER -110.04 -47.76 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.439 -0.8 . . . . 1.46 109.512 179.204 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m -161.56 174.35 13.49 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.136 -0.484 . . . . 1.01 110.237 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.551 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -156.95 163.71 38.83 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.659 -0.497 . . . . 1.72 109.659 179.835 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 23.6 tt0 -151.12 139.11 20.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 1.44 110.486 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 63.01 33.63 14.62 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.19 0.931 . . . . 0.84 111.954 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.551 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 89.2 t80 -61.57 -59.54 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.667 0.27 . . . . 1.39 111.351 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.15 -44.16 74.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.604 . . . . 1.3 111.182 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.17 -44.67 96.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.962 -0.563 . . . . 1.46 110.571 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 73.1 t80 -62.71 -55.73 24.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.723 -0.671 . . . . 1.24 111.391 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.47 -35.89 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.26 111.525 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -74.55 -30.54 61.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 1.18 110.873 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -73.4 -45.44 54.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.381 -0.372 . . . . 0.88 111.036 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 17' ' ' PHE . 35.4 pt -74.53 -12.78 15.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.963 0.411 . . . . 0.39 110.901 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.3 36.02 31.99 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.964 -0.636 . . . . 0.39 112.742 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.632 HD23 HG12 ' A' ' 28' ' ' ILE . 20.6 tp -69.14 132.97 89.84 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.877 -0.416 . . . . 0.31 109.877 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HD2' HD12 ' A' ' 23' ' ' LEU . 30.1 Cg_endo -65.78 141.67 66.63 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.164 1.909 . . . . 0.37 111.492 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.97 -37.66 53.86 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.526 0.516 . . . . 0.39 111.68 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -57.25 -37.06 71.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.651 -0.704 . . . . 2.03 111.595 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -88.36 -35.33 17.22 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.032 -0.267 . . . . 0.94 110.377 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.632 HG12 HD23 ' A' ' 23' ' ' LEU . 60.2 mt -57.41 -58.24 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.852 -0.613 . . . . 0.37 110.603 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.51 -27.25 69.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 1.73 111.405 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.0 tpt -75.01 -36.78 61.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.076 -0.511 . . . . 0.97 110.294 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.554 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -114.23 40.15 2.58 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.767 -0.73 . . . . 0.51 113.201 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -101.93 118.01 36.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.346 0.573 . . . . 2.27 110.921 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.13 22.5 11.76 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.592 -0.731 . . . . 1.78 112.078 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.1 m -76.56 148.29 37.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.295 -0.411 . . . . 1.16 110.13 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' HA ' ' HB2' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.61 81.58 7.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.186 0.517 . . . . 2.49 111.488 -179.159 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -82.45 114.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.939 -0.573 . . . . 0.66 109.662 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 6.6 t -79.81 135.09 26.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.073 -0.512 . . . . 0.37 110.29 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 50' ' ' THR . 27.9 m -116.8 107.24 14.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.083 -0.508 . . . . 0.33 109.914 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 2.3 mm-40 -102.16 121.65 42.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.746 0.307 . . . . 1.39 110.782 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 48' ' ' THR . 58.0 t -116.46 134.72 59.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.651 -0.704 . . . . 0.22 111.316 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' OG1' ' A' ' 48' ' ' THR . 4.4 p -119.74 140.26 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.721 -0.844 . . . . 0.95 108.721 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.473 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 46.1 tp60 -85.35 121.37 27.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.697 0.284 . . . . 2.06 111.198 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -142.17 72.91 1.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 1.73 110.203 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.5 -104.54 1.08 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.162 -0.775 . . . . 0.4 111.162 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -116.61 7.16 13.54 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.381 0.61 . . . . 0.43 109.358 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 34.4 t70 -100.89 108.53 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.114 -0.948 . . . . 1.36 108.996 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -106.86 132.98 52.21 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.097 -0.705 . . . . 1.0 109.097 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.565 ' OG1' HG12 ' A' ' 41' ' ' VAL . 70.1 p -99.71 130.72 45.95 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.979 -0.288 . . . . 0.56 110.922 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.641 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -111.11 100.51 9.16 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.66 -0.867 . . . . 0.42 108.66 178.124 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 38' ' ' THR . 5.2 m -101.03 111.34 23.52 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.08 -0.509 . . . . 0.35 110.671 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -100.53 117.37 34.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.477 -0.329 . . . . 1.62 110.197 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.434 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 93.4 m-70 -105.54 132.27 51.91 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.865 -0.42 . . . . 0.37 109.865 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.417 ' CZ ' H211 ' A' ' 200' ' ' CHO . 5.9 t80 -101.24 133.84 20.69 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.942 -0.572 . . . . 1.23 109.806 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.06 112.79 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.08 1.853 . . . . 0.46 111.752 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.76 22.11 67.93 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.961 -0.638 . . . . 0.46 112.489 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.31 -167.53 10.99 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.358 -0.925 . . . . 0.41 113.517 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.08 142.83 50.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.35 0.595 . . . . 3.34 112.167 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -96.9 159.71 14.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.825 -0.625 . . . . 0.39 110.109 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -139.47 108.8 6.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.36 -0.382 . . . . 0.49 110.005 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.6 m -113.44 129.93 56.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.052 0.39 . . . . 0.31 112.052 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -132.79 142.64 49.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.716 -0.476 . . . . 1.72 109.716 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.2 p -124.31 122.82 38.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.105 -0.702 . . . . 1.04 109.105 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.534 ' CE2' ' H5 ' ' A' ' 201' ' ' CHO . 48.5 p90 -130.58 139.34 50.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.397 0.618 . . . . 0.88 112.509 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 46' ' ' ASP . 39.3 m -103.36 127.43 50.72 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.027 -0.988 . . . . 0.25 108.715 178.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.2 mm -55.39 127.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.058 0.224 . . . . 0.24 110.579 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t0 75.81 20.08 1.85 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.163 0.914 . . . . 1.1 110.433 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 25.2 tptt -135.12 146.15 48.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.502 -0.772 . . . . 1.59 110.279 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 36.4 mp0 -74.72 124.01 25.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.035 -0.529 . . . . 2.55 109.728 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -116.81 156.25 27.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.176 0.513 . . . . 0.31 112.178 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.16 122.85 35.96 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.304 -0.999 . . . . 1.95 108.304 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.594 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 8.9 mtt -127.41 166.08 18.58 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.432 0.634 . . . . 0.26 112.176 -178.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.672 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 22.6 tt0 -148.18 146.79 28.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.456 -1.247 . . . . 1.47 108.93 178.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.873 HG22 H162 ' A' ' 201' ' ' CHO . 26.1 p -100.45 169.21 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.489 -0.56 . . . . 0.36 109.489 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.7 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 34.2 mtt -73.95 -0.57 16.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.222 0.534 . . . . 1.05 110.129 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.48 -8.21 61.26 Favored Glycine 0 N--CA 1.439 -1.144 0 N-CA-C 110.831 -0.908 . . . . 0.48 110.831 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.29 34.37 6.75 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 121.02 -0.609 . . . . 0.48 112.749 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.672 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 18.7 mtp180 -100.67 126.47 47.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.948 -0.148 . . . . 0.85 111.169 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -103.81 121.52 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.977 -0.749 . . . . 1.76 108.977 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.797 ' HZ ' H181 ' A' ' 201' ' ' CHO . 45.6 p90 -155.61 176.39 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.027 0.441 . . . . 1.17 111.65 -178.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.26 145.55 51.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.761 -0.829 . . . . 2.55 108.761 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -155.69 159.6 39.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.24 111.51 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -101.08 130.04 47.05 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.126 -0.488 . . . . 0.33 110.297 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.0 t -114.26 139.66 38.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.219 -0.446 . . . . 0.19 110.209 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.447 ' HG3' HG13 ' A' ' 91' ' ' VAL . 26.6 pttt -130.2 -179.98 5.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.659 -0.497 . . . . 1.14 109.659 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mtt -127.51 135.2 50.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.696 0.284 . . . . 0.41 110.33 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -120.56 91.0 3.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.135 -0.484 . . . . 2.67 111.402 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.95 50.03 63.63 Favored Glycine 0 CA--C 1.516 0.147 0 C-N-CA 121.027 -0.606 . . . . 0.46 113.77 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.61 15.09 81.36 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.466 -0.873 . . . . 0.36 113.25 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -127.5 125.73 40.98 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.813 -0.81 . . . . 1.76 108.813 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 100' ' ' THR . 3.3 mt -78.35 122.71 33.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.819 0.342 . . . . 0.22 111.116 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.447 HG13 ' HG3' ' A' ' 84' ' ' LYS . 7.3 p -122.78 130.35 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 121.422 0.63 . . . . 0.25 110.588 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.739 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -109.14 138.41 45.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.627 -0.715 . . . . 0.25 110.508 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.43 125.99 39.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.236 0.541 . . . . 1.19 111.712 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 66.6 m-85 -148.8 156.87 41.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.289 -0.869 . . . . 1.27 110.975 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.86 114.55 4.0 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.281 1.987 . . . . 0.36 111.775 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.557 ' O ' ' HA ' ' A' ' 114' ' ' SER . 55.0 m-80 64.16 16.05 9.76 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.187 0.595 . . . . 1.5 111.478 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.637 ' CZ ' H213 ' A' ' 201' ' ' CHO . 3.7 t80 -133.37 130.85 39.35 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.623 -0.51 . . . . 1.31 109.623 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -126.98 105.87 8.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.826 -0.624 . . . . 1.09 109.507 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.708 ' ND1' H122 ' A' ' 201' ' ' CHO . 1.6 t60 -110.71 118.34 35.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.535 -0.302 . . . . 0.67 111.766 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 33.0 p -128.45 130.69 47.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.003 -0.544 . . . . 0.31 110.477 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.41 130.38 56.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.046 -0.524 . . . . 0.26 109.964 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -151.96 168.09 26.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.178 0.513 . . . . 1.38 110.981 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.7 mm -109.81 123.86 66.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.241 -0.891 . . . . 0.37 110.165 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 m -130.79 103.42 6.57 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.099 0.476 . . . . 1.37 110.472 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.93 32.32 63.7 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.59 -0.732 . . . . 0.96 112.716 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.25 21.37 73.38 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.709 -0.758 . . . . 0.5 111.987 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.5 140.06 51.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.758 0.313 . . . . 1.22 110.428 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.2 tm? -85.9 118.06 25.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.852 -0.795 . . . . 0.82 108.852 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.14 105.94 16.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-O 121.485 0.659 . . . . 0.33 109.806 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -96.12 135.05 38.44 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.532 -0.758 . . . . 1.69 110.309 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.536 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.1 mp -113.52 128.47 70.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.136 -0.69 . . . . 0.37 109.136 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.9 m -123.59 103.67 8.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.874 -0.603 . . . . 0.37 110.099 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.701 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -92.2 123.68 35.72 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.214 -0.448 . . . . 0.27 110.094 179.208 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 62.8 m -133.16 106.58 7.67 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 121.118 0.485 . . . . 1.43 110.406 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.3 m 58.24 35.4 24.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.955 -1.02 . . . . 0.63 111.797 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.53 -36.75 4.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.64 -0.791 . . . . 0.46 113.528 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.67 119.68 19.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.863 0.363 . . . . 0.53 110.958 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.701 HG22 HG23 ' A' ' 113' ' ' THR . 57.5 t -95.53 110.12 23.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.97 111.105 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -97.88 128.16 44.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.958 -0.565 . . . . 1.22 109.714 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.536 ' HG2' HG13 ' A' ' 111' ' ' ILE . 52.2 mttt -119.23 141.69 48.69 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.706 0.289 . . . . 1.17 110.618 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -137.13 119.93 16.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.411 0.624 . . . . 2.48 109.888 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.81 132.84 43.06 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.44 -0.8 . . . . 0.43 109.88 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.6 m -134.65 131.81 38.21 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.941 0.401 . . . . 0.38 110.042 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.524 ' HB3' ' OE1' ' A' ' 9' ' ' GLU . 65.4 pttt -79.77 149.7 31.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.263 -0.426 . . . . 1.45 111.061 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.639 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -90.72 117.7 29.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.152 0.501 . . . . 1.45 110.245 179.314 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.541 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -133.17 169.75 21.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.449 -0.796 . . . . 0.35 109.774 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.405 0 CA-C-O 118.38 -0.819 . . . . 1.27 109.244 177.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 1.043 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 1.043 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.494 0.188 . . . . 1.11 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -91.1 -24.04 20.12 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.12 -0.232 . . . . 1.24 111.132 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -64.02 144.67 56.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.26 111.711 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.03 169.0 12.42 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.585 -0.817 . . . . 0.21 111.948 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 142.36 29.39 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.833 -1.173 . . . . 1.54 107.833 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 82.7 m-85 -128.22 138.89 52.65 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.801 0.334 . . . . 1.29 110.645 -178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -119.71 152.02 37.83 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.155 -0.475 . . . . 1.41 109.953 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.49 121.53 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.804 0.69 . . . . 1.86 111.106 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 122' ' ' THR . 2.0 tt0 -117.65 -43.75 2.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 1.46 110.994 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -154.31 172.77 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.311 . . . . 1.01 111.469 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.32 153.22 27.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.751 -0.659 . . . . 1.72 110.292 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 30.1 tt0 -147.33 137.54 23.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.474 -0.784 . . . . 1.44 110.259 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 60.81 34.77 19.64 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.294 -0.866 . . . . 0.84 111.24 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -64.31 -58.46 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 1.39 111.541 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.438 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.1 m-20 -61.31 -39.03 88.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.3 111.488 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 4.2 m-20 -63.44 -40.33 96.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.193 0.521 . . . . 1.46 110.08 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 21' ' ' ILE . 58.8 t80 -66.59 -55.64 14.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.209 -0.905 . . . . 1.24 111.444 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 15' ' ' ASP . 30.7 m -59.22 -38.55 75.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.26 112.046 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -72.93 -28.23 62.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 1.18 111.084 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ASP . 37.2 tptt -76.54 -44.73 33.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.217 -0.447 . . . . 0.88 111.709 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.3 pt -77.03 -14.21 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.283 -0.417 . . . . 0.39 112.063 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.37 36.12 15.42 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.581 -0.819 . . . . 0.39 112.819 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.737 HD23 HG12 ' A' ' 28' ' ' ILE . 16.0 tp -70.94 133.53 86.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.16 -0.682 . . . . 0.31 109.16 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' O ' HG13 ' A' ' 28' ' ' ILE . 28.6 Cg_endo -65.9 140.2 59.85 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.148 1.899 . . . . 0.37 111.324 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.79 -34.92 60.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.39 110.999 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.72 -43.98 69.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 2.03 111.009 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.674 ' HB3' H162 ' A' ' 200' ' ' CHO . 73.6 mmtt -88.62 -29.97 19.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.104 -0.498 . . . . 0.94 110.776 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.737 HG12 HD23 ' A' ' 23' ' ' LEU . 67.9 mt -58.55 -58.28 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 0.37 110.403 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 16.4 mm-40 -67.65 -24.58 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 1.73 111.369 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.425 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 9.8 tpt -81.42 -22.79 37.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.889 -0.596 . . . . 0.97 111.471 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.561 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -114.93 19.71 15.29 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 119.94 -1.124 . . . . 0.51 113.471 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.537 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.3 ptp180 -107.29 131.46 54.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.289 0.545 . . . . 2.27 110.872 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.23 9.4 6.31 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.683 -0.689 . . . . 1.78 111.774 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.4 m -82.36 158.27 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.287 -0.415 . . . . 1.16 110.29 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -93.85 98.21 10.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.517 0.675 . . . . 2.49 112.01 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.17 123.2 55.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.513 -0.767 . . . . 0.66 109.472 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -94.68 130.38 43.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.115 -0.493 . . . . 0.37 110.347 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 50' ' ' THR . 40.1 m -110.78 105.88 14.88 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.874 -0.417 . . . . 0.33 109.874 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -98.5 111.12 23.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.888 0.375 . . . . 1.39 110.309 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 48' ' ' THR . 60.6 t -104.26 127.35 58.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 0.22 111.675 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.66 130.16 70.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.859 -0.793 . . . . 0.95 108.859 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.434 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 64.8 tt0 -90.01 121.81 32.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.153 0.501 . . . . 2.06 111.897 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -134.65 74.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.508 -0.769 . . . . 1.73 109.009 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.77 -101.88 1.15 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.657 -0.977 . . . . 0.4 110.657 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.51 10.9 12.77 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.942 -0.762 . . . . 0.43 108.942 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -106.44 111.7 24.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.875 -1.057 . . . . 1.36 109.715 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.2 135.67 51.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.052 0.453 . . . . 1.0 110.403 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 1.2 p -102.32 122.94 45.23 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.151 -0.477 . . . . 0.56 111.03 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.575 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -99.31 103.12 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.06 -0.718 . . . . 0.42 109.06 179.106 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.535 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.4 m -105.62 109.77 21.86 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.019 -0.537 . . . . 0.35 111.114 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -101.17 118.55 37.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.315 -0.402 . . . . 1.62 110.541 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -101.63 124.51 47.4 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.996 -0.547 . . . . 0.37 110.655 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 6.7 t80 -102.23 133.44 20.6 Favored Pre-proline 0 N--CA 1.443 -0.796 0 CA-C-N 115.95 -0.568 . . . . 1.23 109.577 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.493 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 48.3 Cg_endo -69.92 113.67 3.48 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.874 1.716 . . . . 0.46 111.392 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.42 28.67 73.87 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 121.263 -0.494 . . . . 0.46 113.514 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.22 -166.04 12.18 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.536 -0.84 . . . . 0.41 112.795 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.588 ' NH2' H213 ' A' ' 200' ' ' CHO . 0.0 OUTLIER -72.41 148.07 45.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.01 0.434 . . . . 3.34 111.212 -179.664 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.5 t -97.81 155.93 16.82 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.372 -0.603 . . . . 0.39 109.372 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -132.99 108.14 8.71 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.721 -0.474 . . . . 0.49 109.721 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 m -122.61 120.47 33.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.274 -0.421 . . . . 0.31 111.478 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -125.03 131.91 53.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.326 -0.397 . . . . 1.72 110.17 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.3 p -107.45 123.42 48.38 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.35 -0.611 . . . . 1.04 109.35 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -134.76 144.44 47.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.571 0.7 . . . . 0.88 112.338 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 23.6 m -111.46 133.45 53.74 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.186 -0.915 . . . . 0.25 109.547 178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.89 129.48 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.655 0.264 . . . . 0.24 110.963 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 t70 73.4 19.79 3.35 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.207 1.003 . . . . 1.1 110.2 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HE3' ' HG3' ' A' ' 68' ' ' GLU . 34.8 tptt -136.64 144.34 43.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.7 -0.682 . . . . 1.59 110.626 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HG3' ' HE3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -69.84 146.32 51.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.171 -0.677 . . . . 2.55 109.171 177.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -137.64 149.4 46.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.905 0.383 . . . . 0.31 111.699 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.34 117.04 22.11 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.807 -1.183 . . . . 1.95 107.807 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.503 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 28.2 mtt -120.05 166.03 13.92 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.389 0.614 . . . . 0.26 112.196 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 3.1 tt0 -156.07 147.11 22.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.896 -1.047 . . . . 1.47 108.866 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.825 HG22 H162 ' A' ' 201' ' ' CHO . 14.1 p -102.02 168.02 9.66 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 120.958 0.409 . . . . 0.36 109.913 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.675 ' HB2' ' H14' ' A' ' 200' ' ' CHO . 43.4 mtt -68.66 -13.92 62.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.055 -0.521 . . . . 1.05 110.58 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.28 -12.1 71.04 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.798 -0.521 . . . . 0.48 111.798 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.91 52.3 1.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.146 -0.55 . . . . 0.48 112.853 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.579 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.5 mtp85 -114.06 120.69 41.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.204 -0.295 . . . . 0.85 110.204 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -93.25 121.65 34.84 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.539 -0.541 . . . . 1.76 109.539 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.822 ' HZ ' H181 ' A' ' 201' ' ' CHO . 42.3 p90 -161.9 177.22 10.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.114 0.483 . . . . 1.17 111.71 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -140.98 141.22 34.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.57 -0.741 . . . . 2.55 109.692 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -146.99 162.16 39.34 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.131 -0.486 . . . . 0.24 111.399 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -100.73 129.95 46.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 0.33 110.203 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.4 t -110.77 144.38 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.443 -0.344 . . . . 0.19 110.643 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -135.74 176.53 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.721 -0.474 . . . . 1.14 109.721 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 mtt -128.0 132.85 49.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.618 0.246 . . . . 0.41 111.123 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.14 81.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.314 -0.403 . . . . 2.67 110.685 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.93 55.13 14.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.165 -0.54 . . . . 0.46 113.134 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.43 22.33 77.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.899 -0.667 . . . . 0.36 112.555 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -130.84 111.97 12.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.465 -0.568 . . . . 1.76 109.465 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 mt -72.83 121.83 24.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.22 110.77 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.91 136.29 61.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.283 0.563 . . . . 0.25 110.38 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -116.44 133.06 56.46 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.661 -0.7 . . . . 0.25 110.363 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -91.7 122.61 34.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.436 0.636 . . . . 1.19 111.755 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.483 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 69.7 m-85 -140.32 156.67 69.7 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.097 -0.956 . . . . 1.27 109.961 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -67.15 111.7 2.32 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 121.773 1.649 . . . . 0.36 111.878 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.455 ' O ' ' HA ' ' A' ' 114' ' ' SER . 3.4 t-20 62.83 20.01 11.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.636 -0.711 . . . . 1.5 110.854 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.691 ' CZ ' H213 ' A' ' 201' ' ' CHO . 2.7 t80 -138.19 126.67 23.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 1.31 109.577 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.46 ' O ' ' HA ' ' A' ' 112' ' ' SER . 0.2 OUTLIER -124.2 110.37 14.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.662 -0.699 . . . . 1.09 110.122 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.738 ' ND1' H122 ' A' ' 201' ' ' CHO . 2.6 t60 -106.68 120.15 41.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.613 -0.267 . . . . 0.67 110.421 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.7 p -129.11 132.32 47.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.591 -0.277 . . . . 0.31 110.742 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HB2' ' HG2' ' A' ' 110' ' ' GLU . . . -122.42 128.2 50.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.412 -0.358 . . . . 0.26 110.96 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -146.37 172.27 13.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.055 0.455 . . . . 1.38 110.939 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.8 mm -111.47 110.74 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.294 -0.632 . . . . 0.37 109.294 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 72.7 m -119.05 105.05 11.04 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.716 -0.675 . . . . 1.37 110.408 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.06 30.71 58.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.951 -0.643 . . . . 0.96 112.288 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.39 15.55 79.76 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.58 -0.819 . . . . 0.5 112.446 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -125.8 144.95 50.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.588 0.194 . . . . 1.22 110.999 -179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.465 HD11 ' HB1' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -90.06 106.44 18.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.226 -0.657 . . . . 0.82 109.226 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -109.39 114.43 46.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.758 -0.655 . . . . 0.33 109.809 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HG2' ' HB2' ' A' ' 101' ' ' ALA . 50.6 mt-10 -102.57 128.81 49.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.814 -0.63 . . . . 1.69 110.38 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.564 HG13 ' HG2' ' A' ' 120' ' ' LYS . 3.8 mp -108.92 133.65 53.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.658 -0.701 . . . . 0.37 110.271 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 50.9 m -127.6 110.73 12.99 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.605 -0.517 . . . . 0.37 109.605 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.647 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -98.6 131.85 44.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.429 -0.35 . . . . 0.27 110.486 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 56.3 m -148.06 114.75 6.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.924 0.392 . . . . 1.43 110.309 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m 59.23 27.5 16.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.302 -0.863 . . . . 0.63 111.862 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 101.76 -20.37 46.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.46 113.12 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.0 t -82.21 120.75 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.908 0.354 . . . . 0.53 110.341 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.647 HG22 HG23 ' A' ' 113' ' ' THR . 51.8 t -98.11 107.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.042 -0.526 . . . . 0.97 110.856 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -92.79 123.19 35.89 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.691 -0.686 . . . . 1.22 110.123 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.564 ' HG2' HG13 ' A' ' 111' ' ' ILE . 23.1 mttt -121.38 141.16 51.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.863 0.363 . . . . 1.17 111.114 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.405 HH12 ' CD ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -147.52 117.7 7.32 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.206 0.526 . . . . 2.48 110.35 177.215 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 32.1 m -88.69 139.01 30.9 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.569 -0.742 . . . . 0.43 110.051 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.86 135.64 49.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.208 -0.451 . . . . 0.38 110.384 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 18.8 pttp -82.97 153.39 25.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.662 0.268 . . . . 1.45 110.968 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -94.85 127.6 40.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 1.45 110.975 -179.415 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.19 167.27 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.644 -0.707 . . . . 0.35 109.31 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 CA-C-O 118.379 -0.82 . . . . 1.27 109.935 178.38 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.788 H121 H212 ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.825 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 111.54 0.2 . . . . 1.11 111.54 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -89.57 -24.42 21.73 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.15 0.426 . . . . 1.24 112.15 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.3 m -67.81 138.82 56.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.113 0.412 . . . . 0.26 112.113 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.82 169.19 11.87 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.705 -0.76 . . . . 0.21 112.173 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.507 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -95.22 142.84 27.17 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.003 -0.74 . . . . 1.54 109.003 178.49 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.596 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 91.4 m-85 -125.75 139.47 53.49 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.426 -0.352 . . . . 1.29 111.061 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -122.81 147.88 46.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.318 -0.401 . . . . 1.41 110.55 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.457 ' HB3' ' HA ' ' A' ' 35' ' ' LYS . 19.9 t80 -48.69 124.52 8.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.307 -0.86 . . . . 1.86 111.421 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -124.41 -51.54 1.74 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.468 -0.787 . . . . 1.46 109.902 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.411 ' HB2' ' HB ' ' A' ' 122' ' ' THR . 20.2 m -145.53 152.98 40.6 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.736 -0.666 . . . . 1.01 109.805 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -146.77 156.99 43.56 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.45 -0.574 . . . . 1.72 109.45 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -154.21 141.56 19.63 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.272 0.471 . . . . 1.44 112.272 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.66 35.99 6.66 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.03 -0.986 . . . . 0.84 112.186 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' O ' HG22 ' A' ' 18' ' ' VAL . 34.5 t80 -69.81 -56.52 6.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.96 -0.564 . . . . 1.39 111.245 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.514 ' HA ' HG22 ' A' ' 18' ' ' VAL . 2.0 m-20 -60.45 -41.12 93.43 Favored 'General case' 0 CA--C 1.517 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.3 112.072 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -38.69 92.14 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.201 0.524 . . . . 1.46 110.425 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.448 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 61.5 t80 -69.6 -52.16 28.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.358 -0.837 . . . . 1.24 110.897 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 15' ' ' ASP . 32.0 m -64.05 -39.42 85.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.0 -0.545 . . . . 0.26 111.597 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -67.27 -26.0 66.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.9 0.381 . . . . 1.18 110.578 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -80.77 -47.77 13.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.253 -0.43 . . . . 0.88 111.768 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.4 pt -73.93 -5.73 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 111.786 0.291 . . . . 0.39 111.786 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.73 35.18 46.68 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.844 -0.693 . . . . 0.39 113.168 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD12 ' HD2' ' A' ' 24' ' ' PRO . 26.5 tp -68.99 133.43 90.0 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.404 -0.591 . . . . 0.31 109.404 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.711 ' HD2' HD12 ' A' ' 23' ' ' LEU . 25.2 Cg_endo -64.17 142.14 78.99 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.35 2.033 . . . . 0.37 111.529 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.04 63.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.39 111.205 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -53.94 -42.57 68.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.195 -0.911 . . . . 2.03 111.317 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HD2' H222 ' A' ' 200' ' ' CHO . 51.8 mmtt -88.08 -33.13 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.903 -0.319 . . . . 0.94 110.825 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.543 HG12 HD23 ' A' ' 23' ' ' LEU . 46.0 mt -57.06 -55.23 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.072 0.463 . . . . 0.37 110.828 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 52.0 mm-40 -68.28 -28.76 67.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.69 -0.686 . . . . 1.73 111.839 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.454 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.7 tpt -76.87 -28.76 55.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.12 -0.491 . . . . 0.97 111.426 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.707 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -110.03 23.57 20.92 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.204 -0.998 . . . . 0.51 113.975 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.2 ptp180 -110.87 135.36 51.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.685 0.743 . . . . 2.27 110.417 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 65.67 16.85 10.68 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.796 -0.638 . . . . 1.78 110.716 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.7 m -91.48 154.2 19.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.066 -0.515 . . . . 1.16 110.914 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -93.38 91.79 7.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.235 0.54 . . . . 2.49 111.761 -179.465 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 mp -90.31 136.16 24.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.819 -0.628 . . . . 0.66 109.412 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -104.95 132.41 51.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.681 -0.236 . . . . 0.37 110.905 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.759 ' HA ' ' O ' ' A' ' 50' ' ' THR . 73.4 m -115.25 110.19 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.441 -0.345 . . . . 0.33 110.285 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.507 ' HG2' ' HB2' ' A' ' 5' ' ' LYS . 51.9 mt-10 -101.44 117.41 34.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.882 0.372 . . . . 1.39 110.096 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 48' ' ' THR . 96.6 t -108.65 127.04 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.53 -0.759 . . . . 0.22 112.495 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.1 t -113.98 126.55 71.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.71 -0.848 . . . . 0.95 108.71 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.508 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 24.6 tt0 -89.39 102.91 15.58 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.268 0.47 . . . . 2.06 112.268 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.502 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 70.7 m-20 -109.58 72.4 0.8 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.303 -0.628 . . . . 1.73 109.303 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.04 -101.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 111.14 -0.784 . . . . 0.4 111.14 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' O ' HG12 ' A' ' 65' ' ' ILE . 2.2 m-20 -109.29 5.22 23.46 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.206 -0.664 . . . . 0.43 109.206 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.504 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 15.4 t70 -105.47 111.28 23.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.274 -0.875 . . . . 1.36 110.35 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -107.34 133.25 52.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.969 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 61.9 p -95.95 134.68 38.67 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.922 0.391 . . . . 0.56 110.923 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.724 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -114.61 102.59 10.18 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.865 -0.791 . . . . 0.42 108.865 178.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.759 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.9 m -104.96 120.12 40.68 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.117 -0.492 . . . . 0.35 110.395 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -107.53 116.82 32.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.203 -0.295 . . . . 1.62 110.203 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -105.86 135.57 47.06 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.79 -0.448 . . . . 0.37 109.79 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.472 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 8.3 t80 -109.37 131.67 21.73 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 116.297 -0.41 . . . . 1.23 110.617 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.0 Cg_endo -63.13 114.27 2.39 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.31 2.007 . . . . 0.46 111.295 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.69 24.56 72.72 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.86 -0.686 . . . . 0.46 113.04 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.84 -171.7 16.37 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.101 -1.047 . . . . 0.41 113.484 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.465 HH21 H213 ' A' ' 200' ' ' CHO . 0.0 OUTLIER -62.23 147.91 46.42 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.536 0.569 . . . . 3.34 112.536 -178.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 t -104.17 160.21 15.05 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.802 -0.814 . . . . 0.39 108.802 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.16 128.72 24.46 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.509 -0.314 . . . . 0.49 110.294 -178.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.442 HG23 HG23 ' A' ' 50' ' ' THR . 2.5 m -135.19 127.59 30.42 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.459 -0.496 . . . . 0.31 112.256 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.582 ' OD1' ' H62' ' A' ' 201' ' ' CHO . 6.8 p30 -139.94 141.38 36.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.443 -0.577 . . . . 1.72 109.443 178.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.7 p -118.15 126.07 51.49 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.201 -0.666 . . . . 1.04 109.201 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE2' ' H5 ' ' A' ' 201' ' ' CHO . 46.2 p90 -122.81 147.02 47.01 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.312 0.577 . . . . 0.88 111.703 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 65.8 m -111.76 125.74 54.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.268 -0.878 . . . . 0.25 109.599 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 45' ' ' ASN . 50.0 mm -53.27 128.28 12.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.648 0.261 . . . . 0.24 110.835 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.5 t70 73.89 18.48 3.31 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.289 -0.869 . . . . 1.1 110.22 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.523 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 40.7 tptt -137.86 150.51 47.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.214 -0.903 . . . . 1.59 110.021 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' LYS . 7.9 pt-20 -77.35 151.02 35.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.959 -0.756 . . . . 2.55 108.959 177.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 63' ' ' PHE . . . -137.42 152.64 49.83 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.025 0.379 . . . . 0.31 112.025 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.57 113.6 21.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.276 -0.875 . . . . 1.95 109.0 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.61 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.4 mtt -120.41 168.74 10.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.486 0.66 . . . . 0.26 112.606 -178.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.731 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.4 tt0 -154.75 140.23 17.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.043 -0.981 . . . . 1.47 109.095 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.621 HG23 ' HE1' ' A' ' 79' ' ' PHE . 21.1 p -95.0 169.95 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.97 0.414 . . . . 0.36 110.403 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.772 ' SD ' H122 ' A' ' 200' ' ' CHO . 52.4 mtt -66.91 -13.24 61.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 1.05 110.143 178.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.02 -7.54 73.77 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.781 -0.645 . . . . 0.48 111.675 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.93 53.68 2.64 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.095 -0.574 . . . . 0.48 111.943 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.731 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 10.6 mtp180 -118.12 123.82 46.51 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.302 -0.159 . . . . 0.85 111.057 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -96.55 122.3 39.31 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.445 -0.576 . . . . 1.76 109.445 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.654 ' HZ ' H181 ' A' ' 201' ' ' CHO . 45.2 p90 -155.43 168.87 25.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.045 0.45 . . . . 1.17 111.345 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 69' ' ' ALA . 2.1 mtpp -132.62 136.85 46.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.711 -0.677 . . . . 2.55 109.29 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -143.94 160.41 40.88 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.282 -0.417 . . . . 0.24 111.438 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -97.45 131.13 44.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.875 -0.602 . . . . 0.33 109.752 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.0 t -115.04 142.96 25.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.973 -0.38 . . . . 0.19 109.973 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' CG ' HG13 ' A' ' 91' ' ' VAL . 21.7 pttt -133.99 175.75 9.19 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.065 -0.346 . . . . 1.14 110.065 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mtt -127.73 118.08 23.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.579 -0.526 . . . . 0.41 109.579 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.529 ' HG3' HG11 ' A' ' 91' ' ' VAL . 1.4 mt-10 -125.2 104.4 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.403 -0.362 . . . . 2.67 110.772 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.35 37.42 47.81 Favored Glycine 0 CA--C 1.516 0.105 0 C-N-CA 121.219 -0.515 . . . . 0.46 112.475 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.25 27.8 71.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.504 -0.855 . . . . 0.36 111.774 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -131.07 127.12 37.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.151 -0.314 . . . . 1.76 110.151 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.48 HG21 ' CE1' ' A' ' 63' ' ' PHE . 1.3 mt -80.38 110.15 15.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.719 -0.474 . . . . 0.22 109.719 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.529 HG11 ' HG3' ' A' ' 86' ' ' GLU . 3.2 p -115.98 134.96 57.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.196 0.522 . . . . 0.25 111.003 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.737 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -114.88 142.89 45.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.711 -0.677 . . . . 0.25 110.421 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -102.76 123.63 46.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.173 0.511 . . . . 1.19 111.709 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.514 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 80.3 m-85 -138.88 157.2 72.07 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.144 -0.935 . . . . 1.27 109.66 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.37 112.54 2.38 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 121.554 1.503 . . . . 0.36 111.259 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.566 ' O ' ' HA ' ' A' ' 114' ' ' SER . 61.6 t30 65.52 12.01 7.86 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.021 -0.536 . . . . 1.5 111.356 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.637 ' CE1' H213 ' A' ' 201' ' ' CHO . 2.7 t80 -134.3 123.02 23.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.437 -0.579 . . . . 1.31 109.437 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.7 t60 -121.01 117.13 26.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.8 -0.636 . . . . 1.09 109.34 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.681 ' ND1' H122 ' A' ' 201' ' ' CHO . 4.5 t60 -112.24 128.42 56.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.684 -0.235 . . . . 0.67 110.823 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.0 p -134.83 130.3 35.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.391 -0.368 . . . . 0.31 110.368 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.83 136.59 53.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.463 -0.335 . . . . 0.26 110.328 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -154.52 175.25 13.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.942 0.401 . . . . 1.38 110.841 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 32.6 mm -117.55 116.99 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.37 109.607 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.8 m -128.96 108.01 10.07 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.994 -0.548 . . . . 1.37 110.546 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.9 28.83 55.95 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.792 -0.64 . . . . 0.96 112.042 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.45 22.15 73.59 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.856 -0.688 . . . . 0.5 112.284 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -133.62 151.02 51.6 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.005 0.431 . . . . 1.22 110.409 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.478 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.6 tm? -89.96 121.16 31.8 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.163 -0.926 . . . . 0.82 109.841 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.3 p -122.66 122.05 65.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.075 0.464 . . . . 0.33 109.981 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -108.25 134.45 51.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 1.69 110.12 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.11 130.45 72.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.738 -0.664 . . . . 0.37 109.94 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 15.1 m -126.44 115.49 19.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.101 -0.499 . . . . 0.37 110.406 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.598 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -101.24 130.06 47.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.249 -0.432 . . . . 0.27 110.844 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 73.2 m -145.71 114.68 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.788 -0.449 . . . . 1.43 109.788 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 m 59.5 25.84 14.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.661 -0.699 . . . . 0.63 111.475 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 99.18 -10.45 61.7 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.554 -0.831 . . . . 0.46 112.685 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 113' ' ' THR . 57.8 t -86.02 116.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.828 0.314 . . . . 0.53 110.402 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.598 HG22 HG23 ' A' ' 113' ' ' THR . 92.6 t -94.87 105.21 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.252 -0.431 . . . . 0.97 110.618 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -94.71 131.06 40.94 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.708 -0.678 . . . . 1.22 109.215 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -130.02 146.84 51.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.933 0.397 . . . . 1.17 111.905 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.559 ' NH1' ' H22' ' A' ' 200' ' ' CHO . 14.1 ptt-85 -144.98 136.94 25.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.532 -0.758 . . . . 2.48 109.917 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 10' ' ' SER . 58.2 m -114.07 121.37 43.61 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.778 -0.646 . . . . 0.43 110.332 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 18.5 m -118.46 132.24 56.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.975 0.417 . . . . 0.38 110.515 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 18.4 pttm -76.49 159.04 30.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 1.45 110.44 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.18 129.11 46.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 1.45 111.494 -178.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -146.43 167.51 7.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.321 -0.854 . . . . 0.35 109.099 179.117 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.098 -0.953 . . . . 1.27 109.484 178.751 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.946 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.946 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.671 0.272 . . . . 1.11 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -80.86 -26.01 37.27 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.914 0.338 . . . . 1.24 111.914 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.504 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -61.47 140.79 58.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.513 0.56 . . . . 0.26 112.513 -178.839 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 135.5 164.65 10.45 Favored Glycine 0 N--CA 1.438 -1.205 0 C-N-CA 120.533 -0.841 . . . . 0.21 112.932 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 140.41 29.75 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.125 -1.065 . . . . 1.54 108.125 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.654 ' CE2' ' HG2' ' A' ' 125' ' ' LYS . 88.7 m-85 -126.52 147.17 49.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.681 0.277 . . . . 1.29 111.156 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -130.75 152.81 49.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.447 -0.342 . . . . 1.41 110.111 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 6.9 t80 -47.54 116.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.111 0.882 . . . . 1.86 111.816 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -114.77 -40.53 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 1.46 110.407 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.55 169.48 24.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.374 -0.376 . . . . 1.01 111.06 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -156.89 152.47 26.8 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.065 -0.516 . . . . 1.72 110.03 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -148.38 136.78 21.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.003 -0.544 . . . . 1.44 109.772 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 63.54 34.57 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.996 0.81 . . . . 0.84 111.068 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -63.36 -59.25 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.39 111.825 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' HA ' HG22 ' A' ' 18' ' ' VAL . 25.8 m-20 -60.4 -38.6 84.49 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.328 -0.396 . . . . 1.3 111.565 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -40.81 97.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 1.46 110.137 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.494 ' O ' HG12 ' A' ' 21' ' ' ILE . 57.5 t80 -66.19 -53.07 41.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.612 -0.722 . . . . 1.24 111.053 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.509 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.3 m -62.23 -37.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.973 -0.558 . . . . 0.26 111.778 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER -74.45 -26.99 60.39 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.775 -0.37 . . . . 1.18 111.585 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -76.56 -44.57 34.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.385 -0.371 . . . . 0.88 111.217 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.4 pt -76.19 -13.27 14.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.399 -0.364 . . . . 0.39 111.483 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.62 32.42 30.49 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.95 -0.643 . . . . 0.39 112.892 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.709 HD23 HG12 ' A' ' 28' ' ' ILE . 16.6 tp -67.37 134.66 93.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.591 -0.522 . . . . 0.31 109.591 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.43 ' O ' HG13 ' A' ' 28' ' ' ILE . 27.5 Cg_endo -63.61 139.04 67.72 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.052 1.835 . . . . 0.37 111.528 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.99 -37.48 64.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.926 -0.579 . . . . 0.39 111.485 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 30' ' ' MET . 18.5 t70 -56.94 -40.32 76.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.713 -0.676 . . . . 2.03 111.154 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HB3' H181 ' A' ' 200' ' ' CHO . 71.9 mmtt -87.48 -30.0 20.96 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.474 -0.33 . . . . 0.94 110.441 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.709 HG12 HD23 ' A' ' 23' ' ' LEU . 61.8 mt -60.19 -54.95 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 0.37 109.886 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 43.0 mm-40 -65.31 -33.94 77.15 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.139 -0.937 . . . . 1.73 110.103 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.528 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.3 tpt -65.42 -40.04 92.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.196 -0.911 . . . . 0.97 111.371 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.538 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -106.5 25.68 22.31 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 115.419 0.927 . . . . 0.51 115.419 -177.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.9 ptp180 -104.79 128.6 52.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 118.141 0.971 . . . . 2.27 111.05 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.17 21.5 12.57 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.301 -0.863 . . . . 1.78 110.814 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.1 m -89.96 141.64 28.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.782 -0.645 . . . . 1.16 110.101 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' HG2' ' HG3' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -72.64 85.62 1.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.176 0.512 . . . . 2.49 111.894 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mm -83.27 126.31 40.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.777 -0.647 . . . . 0.66 109.972 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 2.8 t -98.0 130.56 46.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.777 -0.453 . . . . 0.37 109.777 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.753 ' HA ' ' O ' ' A' ' 50' ' ' THR . 24.8 m -118.86 104.82 10.9 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 123.487 0.492 . . . . 0.33 110.024 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -94.22 113.98 26.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.15 -0.315 . . . . 1.39 110.15 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 48' ' ' THR . 60.2 t -107.46 121.92 61.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.543 -0.753 . . . . 0.22 111.985 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.64 134.36 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.433 -0.951 . . . . 0.95 108.433 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.504 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 6.3 tt0 -99.72 112.36 24.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.216 0.531 . . . . 2.06 111.128 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -126.79 78.86 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.731 -0.668 . . . . 1.73 109.891 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.36 -90.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.534 -0.626 . . . . 0.4 111.534 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.75 12.39 5.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.375 0.607 . . . . 0.43 109.885 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 36.7 t70 -106.08 110.91 23.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.095 -0.957 . . . . 1.36 109.61 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.402 ' CE2' ' HG3' ' A' ' 42' ' ' GLN . 77.7 m-85 -106.67 134.17 50.22 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.056 0.455 . . . . 1.0 110.086 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 43.3 p -95.81 135.3 37.7 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.904 -0.589 . . . . 0.56 111.03 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.648 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -115.99 100.95 8.33 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.821 -0.807 . . . . 0.42 108.821 178.459 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.753 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.1 m -105.89 117.89 35.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.56 -0.746 . . . . 0.35 110.067 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -105.62 116.76 32.49 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.945 -0.391 . . . . 1.62 109.945 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.511 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 83.2 m-70 -106.56 123.45 48.12 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.034 0.445 . . . . 0.37 109.891 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.528 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 5.9 t80 -99.39 124.73 43.66 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 115.355 -0.838 . . . . 1.23 110.748 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 28.0 Cg_endo -61.77 115.27 2.69 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.464 2.11 . . . . 0.46 112.188 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.89 22.77 75.82 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.742 -0.663 . . . . 0.46 113.126 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.14 -165.69 11.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.155 -1.021 . . . . 0.41 113.303 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.421 ' NH1' HG23 ' A' ' 59' ' ' THR . 0.2 OUTLIER -70.32 147.21 49.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.061 0.458 . . . . 3.34 111.9 -178.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.1 t -102.54 157.31 17.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.008 -0.542 . . . . 0.39 109.771 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.421 HG23 ' NH1' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -135.05 132.42 38.21 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.741 -0.466 . . . . 0.49 109.741 -179.575 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -141.27 138.42 33.21 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.016 -0.427 . . . . 0.31 111.823 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.549 ' OD1' ' H62' ' A' ' 201' ' ' CHO . 7.4 p30 -150.33 156.53 41.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 1.72 109.373 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.7 p -130.83 132.26 45.11 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.55 -0.537 . . . . 1.04 109.55 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.626 ' CE1' ' H5 ' ' A' ' 201' ' ' CHO . 46.2 p90 -132.52 138.53 47.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.515 0.674 . . . . 0.88 112.321 -178.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.509 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 57.5 m -104.82 130.47 52.93 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.167 -0.924 . . . . 0.25 108.806 178.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mm -56.11 125.98 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.445 -0.343 . . . . 0.24 111.121 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t0 74.52 22.39 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.117 0.886 . . . . 1.1 109.944 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.509 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 42.9 tptt -138.22 136.87 36.99 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.425 -0.807 . . . . 1.59 110.675 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -66.95 138.05 56.98 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.48 -0.563 . . . . 2.55 109.48 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.07 154.4 47.49 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.711 0.634 . . . . 0.31 112.711 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.29 118.11 26.5 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.12 -0.945 . . . . 1.95 108.606 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.601 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 10.3 mtt -123.14 169.6 11.06 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.483 0.658 . . . . 0.26 111.892 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.696 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 22.6 tt0 -153.67 138.48 17.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.704 -1.135 . . . . 1.47 108.802 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.718 HG22 H162 ' A' ' 201' ' ' CHO . 32.3 p -89.65 171.24 9.81 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.362 -0.607 . . . . 0.36 109.362 178.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.602 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 13.4 ttm -76.68 -3.78 39.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.032 0.444 . . . . 1.05 110.27 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.34 -6.7 62.62 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.849 -0.9 . . . . 0.48 110.849 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.97 26.97 9.83 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.891 -0.671 . . . . 0.48 113.297 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.696 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 15.4 mtp180 -97.05 120.63 37.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.291 0.546 . . . . 0.85 110.963 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.92 129.46 46.78 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.704 -0.85 . . . . 1.76 108.704 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.769 ' HZ ' H181 ' A' ' 201' ' ' CHO . 35.3 p90 -158.66 176.79 11.94 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.911 0.337 . . . . 1.17 111.911 -177.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.26 137.65 50.11 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.427 -0.583 . . . . 2.55 109.427 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.6 161.65 42.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.567 -0.288 . . . . 0.24 110.935 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.76 140.42 33.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.933 0.397 . . . . 0.33 110.657 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.57 135.18 64.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.435 . . . . 0.19 109.841 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.425 ' CG ' HG13 ' A' ' 91' ' ' VAL . 19.4 pttt -127.52 177.62 6.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.844 -0.428 . . . . 1.14 109.844 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.7 mtt -129.07 141.29 51.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.692 0.282 . . . . 0.41 110.757 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.48 104.08 6.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.856 -0.611 . . . . 2.67 110.585 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.14 34.95 90.72 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.176 -0.535 . . . . 0.46 113.311 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.43 15.11 66.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.594 -0.812 . . . . 0.36 112.54 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.443 ' HD2' ' CD ' ' A' ' 102' ' ' GLU . 2.8 mtmp? -120.52 125.2 47.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.961 -0.755 . . . . 1.76 108.961 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 100' ' ' THR . 2.3 mt -80.14 119.77 30.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 116.108 -0.496 . . . . 0.22 111.55 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG13 ' CG ' ' A' ' 84' ' ' LYS . 6.6 p -120.33 129.2 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.285 0.564 . . . . 0.25 110.951 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.819 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -105.59 141.67 36.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.795 -0.639 . . . . 0.25 110.219 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -96.94 122.58 40.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.073 0.463 . . . . 1.19 111.488 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 71.1 m-85 -146.11 155.05 51.0 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.3 -0.864 . . . . 1.27 109.721 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -66.94 111.56 2.23 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.017 1.811 . . . . 0.36 111.401 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.69 ' O ' ' HA ' ' A' ' 114' ' ' SER . 3.0 t-20 63.04 11.28 5.05 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.922 -0.581 . . . . 1.5 111.866 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.735 ' CZ ' H213 ' A' ' 201' ' ' CHO . 3.2 t80 -125.9 127.42 45.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.95 -0.759 . . . . 1.31 108.95 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.465 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.3 t60 -126.57 109.45 12.14 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.921 -0.581 . . . . 1.09 109.892 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.462 ' ND1' H122 ' A' ' 201' ' ' CHO . 3.9 t60 -105.32 119.1 38.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.492 -0.322 . . . . 0.67 110.367 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 26.5 p -126.11 129.65 49.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.433 -0.348 . . . . 0.31 110.646 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.68 135.65 54.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.123 -0.49 . . . . 0.26 110.282 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.443 ' CD ' ' HD2' ' A' ' 89' ' ' LYS . 2.8 pt-20 -151.92 171.18 18.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.952 0.406 . . . . 1.38 110.763 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.5 mm -108.43 122.7 63.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.379 -0.828 . . . . 0.37 109.179 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.3 m -136.0 99.63 4.2 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.199 0.523 . . . . 1.37 110.351 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.39 35.88 40.85 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.523 -0.762 . . . . 0.96 111.68 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.37 30.21 71.49 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.251 -0.739 . . . . 0.5 111.251 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -135.08 146.79 49.25 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.758 0.314 . . . . 1.22 110.713 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.57 HD12 ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -92.37 113.71 26.06 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.054 -0.721 . . . . 0.82 109.054 179.211 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 p -113.99 112.37 39.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.45 -0.574 . . . . 0.33 109.45 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.57 ' HG3' HD12 ' A' ' 108' ' ' LEU . 23.3 mt-10 -103.04 131.96 49.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.593 -0.731 . . . . 1.69 110.735 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.496 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.6 mp -115.36 127.39 72.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.445 -0.798 . . . . 0.37 109.276 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 13.4 m -125.2 106.1 9.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.262 -0.427 . . . . 0.37 110.553 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.554 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -94.13 137.07 33.74 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.149 -0.478 . . . . 0.27 110.33 179.475 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.69 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 60.3 p -150.15 113.48 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.27 0.356 . . . . 1.43 110.821 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.1 m 54.87 34.0 21.12 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.649 -0.705 . . . . 0.63 112.362 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.43 -31.7 8.34 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.73 -0.748 . . . . 0.46 113.214 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.01 126.34 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.85 0.325 . . . . 0.53 110.417 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.2 p -108.51 107.38 22.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.569 0.699 . . . . 0.97 111.164 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.417 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 30.9 t80 -89.1 135.85 33.34 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.487 -0.779 . . . . 1.22 109.842 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.496 ' HG2' HG13 ' A' ' 111' ' ' ILE . 15.5 mtpt -133.03 139.69 47.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.523 -0.308 . . . . 1.17 110.762 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.31 130.89 17.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.119 0.485 . . . . 2.48 110.569 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.7 m -106.01 134.95 48.32 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.703 -0.681 . . . . 0.43 109.76 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.2 m -124.62 137.68 54.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.002 0.43 . . . . 0.38 110.702 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 64.8 pttt -78.26 155.63 30.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.728 -0.669 . . . . 1.45 110.777 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.654 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 123.1 43.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.187 0.518 . . . . 1.45 110.393 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.561 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -141.11 168.84 15.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.547 -0.751 . . . . 0.35 109.163 179.176 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.254 -0.879 . . . . 1.27 109.531 178.253 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.949 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.949 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.724 0.297 . . . . 1.11 111.078 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -101.13 -26.35 13.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.168 -0.469 . . . . 1.24 111.466 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.504 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.6 m -60.56 144.58 51.25 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.061 0.458 . . . . 0.26 111.916 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.491 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 128.89 175.71 14.16 Favored Glycine 0 N--CA 1.438 -1.191 0 C-N-CA 120.724 -0.75 . . . . 0.21 112.045 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -99.95 142.26 31.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.858 -0.793 . . . . 1.54 108.858 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.561 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 98.5 m-85 -123.96 150.36 44.86 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.136 -0.32 . . . . 1.29 110.136 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.431 ' HB2' HD11 ' A' ' 126' ' ' ILE . 1.0 OUTLIER -133.52 147.62 51.61 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.343 0.402 . . . . 1.41 110.347 179.274 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 3.4 t80 -51.58 114.84 1.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.061 0.85 . . . . 1.86 110.743 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -105.46 -53.36 2.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.978 0.418 . . . . 1.46 110.402 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m -154.53 160.6 41.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.13 -0.486 . . . . 1.01 110.83 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' A' ' 14' ' ' TYR . 3.9 p-10 -147.24 149.59 33.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.154 0.502 . . . . 1.72 110.846 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -136.01 142.65 44.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.973 -0.558 . . . . 1.44 110.474 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.04 37.61 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.199 -0.91 . . . . 0.84 111.641 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.505 ' HB2' ' OD2' ' A' ' 11' ' ' ASP . 63.0 t80 -64.42 -61.71 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.712 -0.222 . . . . 1.39 111.337 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.03 -36.65 70.71 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.933 0.397 . . . . 1.3 110.806 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.96 -46.23 78.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.903 -0.59 . . . . 1.46 110.578 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.504 ' O ' HG12 ' A' ' 21' ' ' ILE . 48.7 t80 -64.93 -52.97 53.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.003 -0.544 . . . . 1.24 111.518 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 14' ' ' TYR . 34.5 m -61.47 -35.24 65.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.24 0.459 . . . . 0.26 112.24 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.62 -25.23 49.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.932 0.396 . . . . 1.18 110.619 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -78.49 -45.1 22.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.843 -0.617 . . . . 0.88 111.671 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 17' ' ' PHE . 39.2 pt -75.11 -17.62 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.455 -0.339 . . . . 0.39 111.547 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.75 29.33 16.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.264 -0.97 . . . . 0.39 112.686 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.979 HD11 H152 ' A' ' 200' ' ' CHO . 26.4 tp -64.71 137.37 97.12 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.554 -0.536 . . . . 0.31 109.554 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.762 ' HD2' HD12 ' A' ' 23' ' ' LEU . 26.6 Cg_endo -63.14 136.22 54.94 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.248 1.965 . . . . 0.37 111.976 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.04 -39.09 65.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.661 -0.7 . . . . 0.39 111.427 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.3 -45.97 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.09 -0.959 . . . . 2.03 111.791 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.481 ' HB3' ' H20' ' A' ' 200' ' ' CHO . 38.0 mmtt -87.99 -23.13 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.871 -0.332 . . . . 0.94 111.679 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.648 HG12 HD23 ' A' ' 23' ' ' LEU . 19.5 mt -59.4 -57.07 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 123.258 0.349 . . . . 0.37 111.263 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 25.9 mt-10 -72.84 -31.2 64.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.076 -0.511 . . . . 1.73 110.845 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.906 ' HE3' H211 ' A' ' 200' ' ' CHO . 0.1 OUTLIER -69.68 -29.48 66.93 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.976 -0.556 . . . . 0.97 111.189 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.04 27.26 11.09 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.859 -0.686 . . . . 0.51 112.827 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 31.3 ptt180 -105.78 135.38 47.31 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.24 -0.282 . . . . 2.27 110.24 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.27 22.44 12.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.813 -0.63 . . . . 1.78 110.709 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 36' ' ' ILE . 25.6 p -89.67 160.9 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.685 -0.688 . . . . 1.16 110.562 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.91 98.84 11.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.386 0.613 . . . . 2.49 111.862 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.519 HD11 ' SG ' ' A' ' 34' ' ' CYS . 24.6 mm -95.46 124.97 48.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.809 -0.632 . . . . 0.66 110.43 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.6 t -99.5 129.87 49.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.808 -0.441 . . . . 0.37 109.808 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.757 ' HA ' ' O ' ' A' ' 50' ' ' THR . 7.4 m -114.53 108.76 17.28 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.422 -0.354 . . . . 0.33 110.451 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -96.62 117.19 30.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 110.012 -0.366 . . . . 1.39 110.012 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 48' ' ' THR . 78.0 t -112.0 122.41 66.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.22 110.85 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.462 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 94.4 t -110.08 132.31 58.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.155 -0.683 . . . . 0.95 109.155 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.504 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 4.3 tp-100 -82.42 116.01 21.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.136 0.421 . . . . 2.06 112.136 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 84.9 m-20 -129.45 70.13 1.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.976 -0.556 . . . . 1.73 109.732 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.04 -92.41 0.14 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.006 -0.616 . . . . 0.4 111.817 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.56 0.23 10.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.236 0.541 . . . . 0.43 109.711 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 29.7 t70 -100.89 108.49 20.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.696 -0.684 . . . . 1.36 109.908 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -103.28 130.05 50.43 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.709 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.9 OUTLIER -92.28 125.33 36.9 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.924 -0.58 . . . . 0.56 110.214 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -110.31 103.13 11.76 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.478 -0.564 . . . . 0.42 109.478 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.757 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.9 m -103.85 132.61 49.94 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.198 -0.455 . . . . 0.35 110.813 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -115.74 115.91 27.15 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.336 -0.616 . . . . 1.62 109.336 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.4 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 88.7 m-70 -103.77 126.06 50.65 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.077 0.465 . . . . 0.37 110.965 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.591 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 3.0 t80 -105.57 125.61 32.93 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 115.325 -0.852 . . . . 1.23 109.256 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.9 Cg_endo -61.94 112.85 1.63 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.345 2.03 . . . . 0.46 111.775 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.88 29.95 76.69 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.919 -0.582 . . . . 0.46 112.478 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.31 -166.74 12.67 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.022 -1.085 . . . . 0.41 113.826 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.89 152.53 31.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.615 -0.793 . . . . 3.34 111.218 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.2 t -119.53 158.13 26.93 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 120.8 0.333 . . . . 0.39 110.12 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.5 m -139.19 128.93 24.72 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.19 -0.459 . . . . 0.49 110.128 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 m -133.61 118.97 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.774 0.321 . . . . 0.31 111.466 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -122.4 146.07 47.7 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.202 0.525 . . . . 1.72 110.777 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 p -126.15 121.04 31.71 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.603 -0.726 . . . . 1.04 109.181 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 53.6 p90 -129.34 142.75 50.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.167 0.508 . . . . 0.88 111.693 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.497 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 76.2 m -108.45 127.39 53.87 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.369 -0.832 . . . . 0.25 108.967 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.8 mm -55.0 126.57 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.646 0.26 . . . . 0.24 110.985 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t0 75.11 22.56 1.75 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.199 0.937 . . . . 1.1 110.616 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.6 tptt -136.61 144.13 43.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.518 -0.765 . . . . 1.59 110.676 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.8 125.53 27.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.771 -0.826 . . . . 2.55 108.771 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.93 163.59 16.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.197 0.522 . . . . 0.31 112.332 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.28 122.18 38.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.924 -1.034 . . . . 1.95 108.561 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 11.3 mtt -126.31 167.45 15.47 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.515 0.674 . . . . 0.26 112.592 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.699 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 52.4 tt0 -156.39 141.08 16.96 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.467 -1.242 . . . . 1.47 108.705 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.816 HG22 H162 ' A' ' 201' ' ' CHO . 22.6 p -87.46 -176.71 5.7 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.385 -0.598 . . . . 0.36 109.385 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.784 ' HB2' ' H14' ' A' ' 200' ' ' CHO . 7.5 mtp -83.3 -3.88 57.89 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.995 -0.743 . . . . 1.05 108.995 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA2' H161 ' A' ' 200' ' ' CHO . . . -92.8 -7.05 63.2 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 111.233 -0.747 . . . . 0.48 111.233 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.86 29.06 12.28 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.216 -0.516 . . . . 0.48 112.844 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.699 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 29.0 mtp180 -93.57 122.99 36.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.65 0.225 . . . . 0.85 110.792 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -98.75 124.17 43.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.79 0.328 . . . . 1.76 110.441 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.834 ' HZ ' H181 ' A' ' 201' ' ' CHO . 39.3 p90 -155.29 173.35 16.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 1.17 111.216 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.72 143.74 50.96 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.32 -0.622 . . . . 2.55 109.32 179.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -155.38 162.09 40.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.686 0.279 . . . . 0.24 110.711 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.43 129.84 50.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.929 -0.397 . . . . 0.33 109.929 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.53 144.9 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.534 -0.303 . . . . 0.19 110.615 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.455 ' CG ' HG13 ' A' ' 91' ' ' VAL . 6.8 pttt -134.41 -179.23 5.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.156 -0.313 . . . . 1.14 110.156 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 mtt -131.03 130.53 43.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.716 -0.22 . . . . 0.41 110.695 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -121.32 93.15 3.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.403 -0.362 . . . . 2.67 110.617 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.37 50.08 65.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.983 -0.627 . . . . 0.46 113.107 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.63 17.75 78.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.858 -0.687 . . . . 0.36 113.209 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -122.84 119.51 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.866 -0.42 . . . . 1.76 109.866 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.431 HG21 ' CE1' ' A' ' 63' ' ' PHE . 1.8 mt -78.64 107.79 11.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.769 -0.456 . . . . 0.22 109.769 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.455 HG13 ' CG ' ' A' ' 84' ' ' LYS . 2.5 p -113.13 135.05 53.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.223 0.535 . . . . 0.25 110.997 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.617 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -117.45 145.41 44.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.705 -0.68 . . . . 0.25 109.772 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -103.08 124.05 47.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.385 . . . . 1.19 111.858 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 97' ' ' TYR . 89.4 m-85 -140.77 155.62 69.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.4 -0.818 . . . . 1.27 110.406 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.61 115.8 4.41 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.375 2.05 . . . . 0.36 111.831 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 114' ' ' SER . 56.1 t30 68.17 9.04 6.95 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.565 0.698 . . . . 1.5 110.806 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.71 ' CE1' H213 ' A' ' 201' ' ' CHO . 2.1 t80 -136.39 125.62 24.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.92 -0.582 . . . . 1.31 109.803 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' O ' ' HA ' ' A' ' 112' ' ' SER . 10.0 t60 -121.11 123.48 42.43 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.816 -0.809 . . . . 1.09 108.816 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.674 ' ND1' H122 ' A' ' 201' ' ' CHO . 1.8 t60 -123.56 119.27 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.972 0.415 . . . . 0.67 111.134 -178.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.0 p -127.95 128.57 45.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.884 -0.598 . . . . 0.31 110.864 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.63 130.02 56.18 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.361 -0.607 . . . . 0.26 109.361 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -153.17 172.84 16.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.084 0.469 . . . . 1.38 111.25 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.9 mm -109.63 122.24 63.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.151 -0.931 . . . . 0.37 109.613 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.6 m -137.27 113.83 10.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.233 -0.44 . . . . 1.37 110.024 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.27 28.12 64.63 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.052 -0.819 . . . . 0.96 111.052 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.74 25.76 73.14 Favored Glycine 0 C--N 1.332 0.338 0 N-CA-C 111.655 -0.578 . . . . 0.5 111.655 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -135.69 153.36 51.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.888 0.375 . . . . 1.22 111.24 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 1.4 tm? -91.14 118.15 30.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.605 -0.725 . . . . 0.82 109.083 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.8 115.37 46.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.2 0.524 . . . . 0.33 110.395 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.431 ' HG3' ' CD1' ' A' ' 108' ' ' LEU . 62.6 mt-10 -101.57 125.54 48.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.891 -0.595 . . . . 1.69 109.922 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.444 HG13 ' HG2' ' A' ' 120' ' ' LYS . 5.1 mp -109.62 127.59 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.605 -0.725 . . . . 0.37 109.379 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 9.7 m -125.17 115.09 19.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.949 -0.569 . . . . 0.37 110.239 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.773 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -102.16 130.47 48.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.652 -0.249 . . . . 0.27 110.622 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 45.0 m -146.99 113.29 5.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 1.43 110.495 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.3 m 55.3 38.23 30.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.345 -0.843 . . . . 0.63 112.646 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.81 -22.34 39.82 Favored Glycine 0 C--N 1.328 0.134 0 C-N-CA 120.621 -0.799 . . . . 0.46 113.807 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.1 t -85.26 120.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.299 0.55 . . . . 0.53 110.727 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.773 HG22 HG23 ' A' ' 113' ' ' THR . 62.0 t -98.48 105.92 18.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.594 -0.73 . . . . 0.97 111.045 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -90.93 130.54 36.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.393 -0.821 . . . . 1.22 109.133 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.444 ' HG2' HG13 ' A' ' 111' ' ' ILE . 17.5 mtpt -130.81 124.37 31.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.087 0.47 . . . . 1.17 111.593 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -124.76 127.7 47.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.729 -0.669 . . . . 2.48 110.416 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.0 m -105.21 132.9 50.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.774 -0.648 . . . . 0.43 109.852 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -128.24 137.66 52.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.351 -0.386 . . . . 0.38 110.515 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 16.0 pttm -83.16 158.1 22.49 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.947 -0.57 . . . . 1.45 109.722 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.491 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -104.84 121.54 43.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.084 0.468 . . . . 1.45 110.581 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.431 HD11 ' HB2' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -132.53 165.95 30.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.628 -0.715 . . . . 0.35 109.316 179.445 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.69 -0.671 . . . . 1.27 109.703 178.842 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.979 H152 HD11 ' A' ' 23' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.883 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 112.058 0.392 . . . . 1.11 112.058 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -89.13 -5.17 57.97 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.044 0.387 . . . . 1.24 112.044 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.91 144.07 49.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.605 0.594 . . . . 0.26 112.605 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.518 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 124.21 174.58 14.13 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.353 -0.927 . . . . 0.21 113.316 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.9 145.8 25.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.874 -0.787 . . . . 1.54 108.874 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 91.1 m-85 -130.44 140.63 50.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.135 -0.32 . . . . 1.29 110.135 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -126.82 146.81 50.13 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.072 -0.513 . . . . 1.41 110.071 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -49.54 120.43 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.07 0.856 . . . . 1.86 112.183 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.29 -50.87 2.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.841 -0.618 . . . . 1.46 110.122 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -154.45 165.71 35.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 1.01 110.588 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' OD2' ' HB2' ' A' ' 14' ' ' TYR . 1.9 p-10 -158.83 169.17 24.96 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.835 -0.431 . . . . 1.72 109.835 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -152.36 140.92 20.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.496 -0.32 . . . . 1.44 110.855 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 61.65 30.3 18.49 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.128 -0.942 . . . . 0.84 112.564 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.492 ' O ' HG22 ' A' ' 18' ' ' VAL . 58.3 t80 -61.17 -58.74 7.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.526 0.203 . . . . 1.39 111.069 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -42.54 77.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.909 -0.587 . . . . 1.3 111.546 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -43.82 91.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.124 0.488 . . . . 1.46 110.673 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HB2' ' HB2' ' A' ' 119' ' ' TYR . 87.3 t80 -63.21 -55.51 24.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.453 -0.794 . . . . 1.24 111.301 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 14' ' ' TYR . 27.1 m -59.48 -37.09 68.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.0 -0.546 . . . . 0.26 111.994 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -74.14 -28.93 61.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.664 0.269 . . . . 1.18 110.871 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -77.45 -41.41 39.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.88 111.297 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.0 pt -75.61 -14.45 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.68 0.276 . . . . 0.39 111.55 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.03 31.3 12.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.423 -0.894 . . . . 0.39 113.078 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.763 HD11 H152 ' A' ' 200' ' ' CHO . 19.2 tp -71.68 130.47 87.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.472 -0.566 . . . . 0.31 109.472 178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.564 ' HD2' HD12 ' A' ' 23' ' ' LEU . 32.2 Cg_endo -66.37 142.77 67.33 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.291 1.994 . . . . 0.37 111.726 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.9 -36.22 62.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.39 111.277 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 30' ' ' MET . 2.9 m-20 -54.73 -42.92 72.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.762 . . . . 2.03 111.156 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.644 ' HE3' H162 ' A' ' 200' ' ' CHO . 8.1 mmmt -86.84 -30.34 21.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 0.94 110.78 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.649 HG12 HD23 ' A' ' 23' ' ' LEU . 42.7 mt -61.07 -56.48 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.37 110.446 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -64.42 -31.33 72.49 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.376 0.608 . . . . 1.73 110.596 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 9.1 tpt -66.66 -37.56 85.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.097 -0.956 . . . . 0.97 110.749 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.39 32.22 5.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.837 -0.697 . . . . 0.51 113.016 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -85.95 103.66 14.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.478 -0.425 . . . . 2.27 112.063 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m120 56.37 28.13 13.05 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.533 -0.758 . . . . 1.78 111.973 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.5 m -76.37 164.6 25.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.718 0.294 . . . . 1.16 110.752 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.8 77.03 2.74 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.103 0.477 . . . . 2.49 112.096 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mm -83.07 122.12 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.367 -0.379 . . . . 0.66 110.039 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.3 t -98.78 127.86 50.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 0.37 110.217 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.604 HG23 ' OE1' ' A' ' 51' ' ' GLN . 26.1 m -110.67 108.15 17.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.923 -0.581 . . . . 0.33 109.855 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 55.2 mt-10 -98.03 120.37 38.3 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.809 -0.356 . . . . 1.39 110.097 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.6 t -113.91 122.52 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.268 -0.424 . . . . 0.22 111.958 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -107.6 126.45 63.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.213 -1.032 . . . . 0.95 108.213 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -99.97 109.08 21.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.799 0.666 . . . . 2.06 112.799 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -126.09 74.98 1.48 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.097 1.427 . . . . 1.73 108.885 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.06 -111.68 3.38 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 113.446 -1.706 . . . . 0.4 112.04 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -103.04 0.55 32.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.99 0.424 . . . . 0.43 110.566 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 24.9 t70 -100.94 114.06 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.191 -0.459 . . . . 1.36 111.077 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -109.69 137.87 46.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.627 -0.715 . . . . 1.0 109.896 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 1.2 p -106.39 133.86 50.42 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.147 -0.479 . . . . 0.56 111.165 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.32 101.26 10.27 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.082 -0.71 . . . . 0.42 109.082 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.468 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 1.1 m -103.77 107.51 18.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.31 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.604 ' OE1' HG23 ' A' ' 38' ' ' THR . 6.8 mm100 -98.27 118.88 35.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.93 0.395 . . . . 1.62 110.321 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -105.09 123.85 48.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.494 0.664 . . . . 0.37 111.01 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.522 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.3 t80 -100.7 125.63 38.15 Favored Pre-proline 0 C--N 1.315 -0.897 0 CA-C-N 114.681 -1.145 . . . . 1.23 109.869 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.522 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 33.7 Cg_endo -64.54 115.44 3.2 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.472 2.115 . . . . 0.46 111.605 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.56 30.15 76.79 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.835 -0.697 . . . . 0.46 112.636 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.14 -166.95 12.74 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.717 -0.754 . . . . 0.41 112.767 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.9 147.38 35.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.361 0.601 . . . . 3.34 111.246 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 t -99.09 160.79 14.01 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.74 -0.663 . . . . 0.39 110.544 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.2 114.26 8.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.548 -0.296 . . . . 0.49 110.5 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -119.16 123.01 43.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.137 0.494 . . . . 0.31 111.444 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -122.57 133.27 54.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.963 -0.562 . . . . 1.72 110.074 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.7 p -113.19 122.86 48.78 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.104 -0.702 . . . . 1.04 109.104 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.459 ' CZ ' ' H3 ' ' A' ' 201' ' ' CHO . 47.2 p90 -133.59 135.24 44.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.777 0.798 . . . . 0.88 112.371 -178.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 53.5 m -104.39 129.21 52.34 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.885 -1.052 . . . . 0.25 108.899 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.411 HG21 ' HB2' ' A' ' 85' ' ' MET . 45.9 mm -54.27 128.03 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.857 0.361 . . . . 0.24 111.134 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 t70 74.66 17.6 2.93 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.045 -0.98 . . . . 1.1 110.55 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 34.9 tptt -130.57 143.78 50.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.733 -0.667 . . . . 1.59 110.424 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -74.89 125.03 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.807 -0.812 . . . . 2.55 108.807 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.52 158.17 21.99 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.222 0.452 . . . . 0.31 112.222 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -95.82 120.1 35.49 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.729 -1.212 . . . . 1.95 107.729 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.638 ' SD ' H191 ' A' ' 201' ' ' CHO . 8.7 mtt -123.23 168.35 12.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.824 0.821 . . . . 0.26 112.595 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.617 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.5 tt0 -155.23 141.85 18.85 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.288 -1.324 . . . . 1.47 108.745 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 1.038 HG22 H162 ' A' ' 201' ' ' CHO . 30.9 p -96.55 173.12 7.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.141 0.496 . . . . 0.36 110.379 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.697 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 31.6 mtt -76.36 -10.5 59.44 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.451 -0.574 . . . . 1.05 109.451 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.19 -18.0 65.73 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.621 -0.992 . . . . 0.48 110.621 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.99 22.75 7.77 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.773 -0.727 . . . . 0.48 112.642 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.617 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 6.9 mtp85 -92.39 119.63 32.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.064 0.432 . . . . 0.85 110.78 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.53 124.35 47.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.789 -0.819 . . . . 1.76 108.789 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.889 ' HZ ' H181 ' A' ' 201' ' ' CHO . 51.4 p90 -158.93 178.11 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.709 0.29 . . . . 1.17 111.352 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -136.01 146.45 47.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.293 -0.412 . . . . 2.55 110.127 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.39 161.83 41.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.878 0.37 . . . . 0.24 111.491 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -99.21 131.12 45.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.33 109.747 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -114.43 137.86 46.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.801 -0.444 . . . . 0.19 109.801 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.482 ' CG ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -129.04 176.4 7.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.636 0.255 . . . . 1.14 110.407 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.411 ' HB2' HG21 ' A' ' 65' ' ' ILE . 1.3 mtt -130.3 126.09 36.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.147 -0.316 . . . . 0.41 110.147 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -124.41 104.19 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.866 0.365 . . . . 2.67 110.71 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.01 36.11 80.39 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.952 -0.567 . . . . 0.46 112.925 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.46 19.67 73.45 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.976 -0.63 . . . . 0.36 112.309 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -122.29 125.5 46.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.271 -0.641 . . . . 1.76 109.271 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mt -80.21 114.88 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.798 0.333 . . . . 0.22 110.239 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.482 HG13 ' CG ' ' A' ' 84' ' ' LYS . 3.0 p -116.65 128.06 74.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.302 0.572 . . . . 0.25 110.795 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.7 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -106.51 139.02 41.63 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.93 -0.577 . . . . 0.25 110.061 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -97.74 122.56 40.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.103 0.478 . . . . 1.19 111.381 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.474 ' CE2' H111 ' A' ' 201' ' ' CHO . 68.7 m-85 -145.68 159.03 48.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.319 -0.855 . . . . 1.27 110.3 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -80.97 120.79 3.86 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.091 1.861 . . . . 0.36 111.077 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 114' ' ' SER . 1.0 OUTLIER 63.8 22.22 12.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.268 -0.424 . . . . 1.5 110.422 -178.774 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.645 ' CZ ' H213 ' A' ' 201' ' ' CHO . 3.3 t80 -148.45 127.54 12.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.869 -0.605 . . . . 1.31 110.277 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.584 ' O ' ' HA ' ' A' ' 112' ' ' SER . 34.1 t60 -126.75 115.33 19.22 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.578 -0.897 . . . . 1.09 108.578 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.749 ' ND1' H122 ' A' ' 201' ' ' CHO . 3.8 t-160 -117.9 113.43 21.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.575 0.226 . . . . 0.67 111.178 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.427 HG22 ' HB ' ' A' ' 91' ' ' VAL . 13.0 p -123.35 129.09 50.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.356 -0.384 . . . . 0.31 110.524 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.28 136.79 52.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.174 -0.466 . . . . 0.26 109.957 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -155.83 175.65 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.772 0.32 . . . . 1.38 111.004 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 107' ' ' LYS . 13.7 mm -112.36 110.86 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.777 -0.647 . . . . 0.37 109.39 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.8 m -121.84 117.56 26.82 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.676 -0.693 . . . . 1.37 109.714 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.12 30.96 76.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.672 -0.775 . . . . 0.96 111.435 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.75 18.64 78.89 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.253 -0.498 . . . . 0.5 111.904 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 103' ' ' ILE . 21.5 mttp -124.74 151.97 44.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 1.22 111.173 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.6 tm? -89.86 116.54 28.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.717 -0.846 . . . . 0.82 108.717 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.0 p -123.84 119.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 121.219 0.533 . . . . 0.33 110.293 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.48 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 39.3 mt-10 -108.26 125.88 52.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.363 -0.835 . . . . 1.69 110.15 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.98 122.07 59.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.79 -0.818 . . . . 0.37 108.79 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -120.87 111.32 17.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.987 -0.551 . . . . 0.37 110.681 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.684 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -99.57 136.47 39.46 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.308 -0.405 . . . . 0.27 110.728 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 75.7 m -149.9 112.55 4.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.302 -0.408 . . . . 1.43 110.987 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.3 m 59.23 32.42 21.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.74 . . . . 0.63 111.714 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 100.52 -28.58 15.17 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.47 -0.871 . . . . 0.46 113.394 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.46 125.69 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 117.193 0.496 . . . . 0.53 110.946 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.684 HG22 HG23 ' A' ' 113' ' ' THR . 58.8 t -101.12 108.95 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 0.97 111.055 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 32.4 t80 -96.76 128.61 43.87 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.697 -0.683 . . . . 1.22 109.37 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -123.91 143.76 50.18 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.854 0.359 . . . . 1.17 110.73 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 2.1 ptp180 -138.66 136.25 35.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.966 -0.561 . . . . 2.48 110.234 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.2 m -116.78 123.12 46.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.843 -0.617 . . . . 0.43 110.257 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.2 m -124.46 139.86 53.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.143 -0.48 . . . . 0.38 110.352 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 15.3 pttt -87.44 154.46 20.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.262 -0.426 . . . . 1.45 109.987 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.518 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -98.91 114.8 27.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 1.45 110.549 -179.592 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.37 156.02 32.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.656 -0.702 . . . . 0.35 109.66 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.192 -0.909 . . . . 1.27 109.796 179.847 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.881 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 1.038 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 111.605 0.224 . . . . 1.11 111.605 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -85.47 -30.88 23.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.0 -0.28 . . . . 1.24 111.048 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.67 141.78 58.64 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.337 0.495 . . . . 0.26 112.337 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.26 172.26 13.0 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.77 -0.729 . . . . 0.21 112.622 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -94.77 143.97 26.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.921 -0.77 . . . . 1.54 108.921 178.165 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.488 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 92.3 m-85 -129.39 136.17 49.62 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.241 -0.436 . . . . 1.29 109.947 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -120.62 144.61 48.05 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.127 -0.488 . . . . 1.41 110.318 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 1.5 t80 -49.17 115.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.049 -0.978 . . . . 1.86 112.454 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.487 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.7 tp10 -110.3 -48.98 3.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.702 -0.681 . . . . 1.46 109.994 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.3 m -153.65 163.78 39.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.933 -0.576 . . . . 1.01 110.862 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 2.0 p-10 -148.44 162.14 40.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.528 -0.545 . . . . 1.72 109.528 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -149.09 137.99 21.29 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.101 -0.5 . . . . 1.44 110.592 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 62.86 44.04 6.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.022 -0.99 . . . . 0.84 112.017 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.59 -58.63 3.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.699 0.259 . . . . 1.39 111.699 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -58.62 -41.6 86.3 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.226 -0.443 . . . . 1.3 111.525 -178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -40.84 98.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.073 -0.512 . . . . 1.46 110.323 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.474 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 32.3 t80 -65.74 -55.45 17.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.119 -0.946 . . . . 1.24 111.217 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -59.64 -39.42 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.816 -0.629 . . . . 0.26 111.99 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -72.52 -25.28 61.33 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.917 -0.313 . . . . 1.18 111.375 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -81.7 -48.0 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.836 0.31 . . . . 0.88 111.836 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 17' ' ' PHE . 29.1 pt -68.88 -18.94 23.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 0.39 111.865 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.34 38.9 6.53 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.417 -0.896 . . . . 0.39 112.261 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.678 HD23 HG12 ' A' ' 28' ' ' ILE . 14.8 tp -77.57 130.49 73.82 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 110.413 -0.218 . . . . 0.31 110.413 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 36.0 Cg_endo -67.47 144.92 69.11 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.293 1.995 . . . . 0.37 111.865 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.92 -33.34 62.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.483 -0.326 . . . . 0.39 111.188 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.18 -41.49 79.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.592 -0.731 . . . . 2.03 111.293 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HD2' H222 ' A' ' 200' ' ' CHO . 73.2 mmtt -88.21 -33.11 18.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.496 -0.32 . . . . 0.94 110.443 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.678 HG12 HD23 ' A' ' 23' ' ' LEU . 51.5 mt -57.2 -59.06 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.96 -0.563 . . . . 0.37 110.757 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.08 -36.43 81.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.915 -0.584 . . . . 1.73 111.275 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.458 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 5.0 tpt -63.72 -38.23 90.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.553 -0.749 . . . . 0.97 110.716 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.5 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -110.43 35.08 5.03 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.106 -0.569 . . . . 0.51 113.057 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -91.33 108.25 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.974 0.387 . . . . 2.27 111.887 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.48 26.69 15.68 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.078 -0.964 . . . . 1.78 112.008 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.6 m -79.19 142.41 36.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.499 -0.556 . . . . 1.16 109.499 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -71.3 89.56 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.455 0.645 . . . . 2.49 111.844 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.3 mm -84.39 124.01 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.751 -0.659 . . . . 0.66 110.217 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.23 136.22 27.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.312 -0.625 . . . . 0.37 109.312 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.578 HG23 ' OE1' ' A' ' 51' ' ' GLN . 32.0 m -121.04 106.04 11.2 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.077 -0.51 . . . . 0.33 110.367 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 48.2 mt-10 -95.1 115.07 26.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.981 -0.377 . . . . 1.39 109.981 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 48' ' ' THR . 58.1 t -109.53 124.89 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.685 -0.689 . . . . 0.22 111.707 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.536 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 59.3 t -115.36 130.59 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.34 -0.985 . . . . 0.95 108.34 177.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -106.99 128.81 54.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.922 0.391 . . . . 2.06 111.73 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -141.9 91.53 2.36 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.831 -0.803 . . . . 1.73 108.831 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.17 -96.08 0.87 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.906 -0.664 . . . . 0.4 111.899 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.09 11.24 7.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.264 0.554 . . . . 0.43 110.135 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 28.2 t70 -106.96 121.57 44.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.85 -0.614 . . . . 1.36 110.394 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -115.34 133.12 56.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.049 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.536 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -98.45 141.49 31.24 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.237 -0.438 . . . . 0.56 111.119 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.624 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -120.61 101.78 7.98 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.182 -0.673 . . . . 0.42 109.182 179.32 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 1.2 m -103.94 109.71 21.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.944 -0.571 . . . . 0.35 110.256 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.578 ' OE1' HG23 ' A' ' 38' ' ' THR . 8.0 mm100 -101.12 119.71 39.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.838 0.351 . . . . 1.62 110.799 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -108.25 122.64 47.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.396 0.617 . . . . 0.37 111.156 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.458 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 2.4 t80 -97.19 121.0 60.09 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 114.418 -1.265 . . . . 1.23 110.073 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 31.1 Cg_endo -63.11 114.3 2.4 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.092 1.862 . . . . 0.46 111.908 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.23 23.26 77.85 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.967 -0.635 . . . . 0.46 112.553 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.01 -170.21 13.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.627 -0.796 . . . . 0.41 112.947 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.75 145.81 42.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 3.34 111.319 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.7 t -96.78 161.01 14.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.799 -0.637 . . . . 0.39 110.288 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -145.42 113.88 6.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.748 -0.206 . . . . 0.49 110.833 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 m -111.43 135.8 51.47 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.848 0.356 . . . . 0.31 111.913 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -133.05 154.64 50.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 1.72 109.972 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.9 p -135.1 123.77 23.68 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.058 -0.719 . . . . 1.04 109.058 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CZ ' ' H3 ' ' A' ' 201' ' ' CHO . 55.5 p90 -132.27 137.9 47.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.484 0.659 . . . . 0.88 112.272 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 59.4 m -106.94 130.48 54.59 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.292 -0.867 . . . . 0.25 109.547 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.52 127.57 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 120.919 0.39 . . . . 0.24 111.192 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.0 t70 70.8 25.31 3.98 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.044 0.938 . . . . 1.1 110.419 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 22.7 tptt -137.35 143.95 42.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.64 -0.709 . . . . 1.59 110.485 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -75.23 128.08 34.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.287 -0.634 . . . . 2.55 109.287 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.34 158.18 25.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.346 -0.388 . . . . 0.31 111.754 -178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.26 117.45 30.82 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 107.502 -1.296 . . . . 1.95 107.502 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.485 ' SD ' ' C19' ' A' ' 201' ' ' CHO . 7.1 mtt -120.27 167.51 12.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.57 0.7 . . . . 0.26 111.928 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.661 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 44.6 tt0 -157.01 140.3 15.62 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.487 -1.233 . . . . 1.47 109.037 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.819 HG22 H162 ' A' ' 201' ' ' CHO . 18.9 p -96.12 174.09 7.08 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.949 -0.389 . . . . 0.36 109.949 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.595 ' C ' H161 ' A' ' 200' ' ' CHO . 34.3 mtt -78.3 -4.32 47.37 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.042 -0.725 . . . . 1.05 109.042 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.463 ' N ' H161 ' A' ' 200' ' ' CHO . . . -86.98 -2.79 83.59 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.857 -0.897 . . . . 0.48 110.857 179.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.16 26.47 30.95 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.356 -0.449 . . . . 0.48 112.045 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.661 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.6 mtp180 -100.64 121.42 41.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.615 0.245 . . . . 0.85 111.448 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 128.81 51.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.926 -0.768 . . . . 1.76 108.926 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.735 ' HZ ' H181 ' A' ' 201' ' ' CHO . 40.4 p90 -160.18 177.36 10.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 1.17 111.45 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.65 141.45 48.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.481 . . . . 2.55 109.716 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.15 162.77 40.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.249 -0.432 . . . . 0.24 111.055 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.36 132.53 51.43 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.137 -0.483 . . . . 0.33 110.297 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.97 143.14 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.229 -0.441 . . . . 0.19 110.457 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -130.56 176.79 7.87 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.835 -0.432 . . . . 1.14 109.835 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.441 ' HE2' HG12 ' A' ' 90' ' ' ILE . 1.3 mtt -131.2 118.11 19.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.611 0.243 . . . . 0.41 110.545 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.527 ' HG3' HG11 ' A' ' 91' ' ' VAL . 1.5 mt-10 -119.64 112.1 18.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.506 -0.315 . . . . 2.67 110.834 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.48 31.91 77.78 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.038 -0.601 . . . . 0.46 112.649 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.4 28.16 62.25 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.749 -0.739 . . . . 0.36 111.812 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -128.72 128.63 44.42 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.87 -0.789 . . . . 1.76 108.87 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.441 HG12 ' HE2' ' A' ' 85' ' ' MET . 1.5 mt -80.45 110.4 15.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 120.807 -0.357 . . . . 0.22 110.829 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' A' ' 86' ' ' GLU . 2.7 p -113.78 126.0 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-O 121.165 0.507 . . . . 0.25 110.868 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.75 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -102.6 142.59 33.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.75 -0.659 . . . . 0.25 110.3 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -102.12 123.11 45.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.906 0.384 . . . . 1.19 111.099 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 75.0 m-85 -143.19 164.92 28.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.184 -0.916 . . . . 1.27 109.831 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -77.22 113.31 3.56 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 121.821 1.68 . . . . 0.36 111.024 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 114' ' ' SER . 66.2 t30 65.72 15.29 9.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.842 -0.617 . . . . 1.5 111.021 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.692 ' CZ ' H213 ' A' ' 201' ' ' CHO . 3.2 t80 -136.6 127.24 27.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.214 0.531 . . . . 1.31 109.884 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.488 ' O ' ' HA ' ' A' ' 112' ' ' SER . 1.2 t60 -126.75 116.28 20.68 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.544 -0.753 . . . . 1.09 109.124 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.628 ' ND1' ' H21' ' A' ' 201' ' ' CHO . 10.2 t-160 -113.13 117.77 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.184 0.303 . . . . 0.67 110.745 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 72.9 p -127.17 129.2 47.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.753 -0.462 . . . . 0.31 109.753 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.63 137.38 54.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.501 0.191 . . . . 0.26 111.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -153.63 173.95 15.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.872 0.368 . . . . 1.38 111.08 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.5 mm -111.77 111.18 35.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.113 -0.699 . . . . 0.37 109.113 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.8 m -124.57 115.55 21.01 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.049 -0.523 . . . . 1.37 110.354 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.58 25.77 74.49 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.532 -0.627 . . . . 0.96 111.532 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.04 22.31 71.72 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.54 -0.838 . . . . 0.5 111.73 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -131.86 141.41 49.39 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.381 -0.229 . . . . 1.22 110.381 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.402 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.1 tm? -83.25 113.85 20.97 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.908 -0.775 . . . . 0.82 108.908 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -119.68 112.69 38.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.605 0.717 . . . . 0.33 109.892 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -100.47 138.88 36.94 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.172 -0.922 . . . . 1.69 109.715 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.413 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.7 mp -118.0 126.38 74.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.69 -0.686 . . . . 0.37 110.241 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 73.2 m -121.53 111.15 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.601 0.563 . . . . 0.37 110.025 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.536 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -99.45 130.72 45.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.747 0.308 . . . . 0.27 111.311 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 66.5 m -145.69 111.46 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.996 -0.547 . . . . 1.43 110.052 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.2 m 59.87 30.59 20.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.829 -0.623 . . . . 0.63 110.892 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.4 -16.76 60.62 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.717 -0.754 . . . . 0.46 112.608 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.71 113.41 16.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.879 0.371 . . . . 0.53 110.302 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.536 HG22 HG23 ' A' ' 113' ' ' THR . 57.3 t -93.34 104.18 15.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.804 -0.635 . . . . 0.97 111.358 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -94.76 124.55 38.87 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.326 -0.852 . . . . 1.22 109.056 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.413 ' HG2' HG13 ' A' ' 111' ' ' ILE . 33.4 mtpt -125.03 140.67 52.7 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 112.025 0.38 . . . . 1.17 112.025 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.483 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 24.4 mtm180 -128.99 128.53 43.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.277 -0.419 . . . . 2.48 110.225 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 8.2 m -102.81 118.21 36.33 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.777 -0.823 . . . . 0.43 108.777 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 m -124.71 135.5 53.07 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.991 -0.374 . . . . 0.38 109.991 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.2 pttt -86.41 155.47 20.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.206 -0.452 . . . . 1.45 110.848 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.536 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -93.58 121.22 34.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.889 -0.596 . . . . 1.45 109.957 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.501 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -136.43 166.84 25.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.756 -0.461 . . . . 0.35 109.756 179.099 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.508 -0.552 . . . . 1.27 109.508 179.181 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.804 ' H7 ' ' C27' ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.819 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 111.94 0.348 . . . . 1.11 111.94 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -101.69 -20.21 15.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.653 -0.249 . . . . 1.24 111.517 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.38 150.84 48.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.5 -0.318 . . . . 0.26 111.436 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 124.35 172.11 13.55 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.74 -0.743 . . . . 0.21 112.41 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -97.74 145.74 26.06 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.822 -0.807 . . . . 1.54 108.822 178.324 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.583 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 82.1 m-85 -128.76 140.22 51.83 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.493 -0.321 . . . . 1.29 110.195 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -127.84 158.71 37.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.013 -0.54 . . . . 1.41 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -51.12 123.58 9.7 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.499 -0.773 . . . . 1.86 111.736 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.5 tp10 -123.69 -53.45 1.77 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.625 . . . . 1.46 109.908 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.452 ' HB2' ' HB ' ' A' ' 122' ' ' THR . 35.9 m -152.25 160.36 43.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.567 -0.742 . . . . 1.01 110.912 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -153.37 156.56 38.53 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.885 -0.413 . . . . 1.72 109.885 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -147.48 140.43 24.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.386 -0.37 . . . . 1.44 110.134 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 63.49 32.73 14.1 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.519 -0.764 . . . . 0.84 111.017 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -63.34 -56.39 16.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.422 -0.353 . . . . 1.39 110.944 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.38 -41.32 96.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 1.3 110.854 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.3 -45.98 89.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.62 . . . . 1.46 110.377 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.435 ' O ' HG12 ' A' ' 21' ' ' ILE . 82.3 t80 -61.77 -56.18 22.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.957 -1.019 . . . . 1.24 111.481 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -60.99 -36.97 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.26 112.161 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -74.26 -22.13 59.45 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.921 -0.312 . . . . 1.18 111.238 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -81.41 -45.06 16.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.425 -0.352 . . . . 0.88 110.831 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 17' ' ' PHE . 24.3 pt -75.21 -13.83 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.39 111.802 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.69 36.92 21.48 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.797 -0.716 . . . . 0.39 112.741 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.702 HD12 ' HD2' ' A' ' 24' ' ' PRO . 26.5 tp -71.29 135.24 84.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.16 -0.682 . . . . 0.31 109.16 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.702 ' HD2' HD12 ' A' ' 23' ' ' LEU . 27.6 Cg_endo -63.62 139.41 69.62 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.072 1.848 . . . . 0.37 111.49 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.66 -37.96 59.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.952 -0.567 . . . . 0.39 111.375 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 30' ' ' MET . 29.8 t70 -55.84 -39.57 71.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.252 -0.886 . . . . 2.03 111.482 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.654 ' HD2' H222 ' A' ' 200' ' ' CHO . 40.1 mmtt -88.93 -30.56 18.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.252 . . . . 0.94 110.561 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.576 HG12 HD23 ' A' ' 23' ' ' LEU . 53.8 mt -60.1 -57.88 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.414 0.626 . . . . 0.37 110.325 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.552 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 24.4 mm-40 -65.14 -30.5 71.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.167 -0.924 . . . . 1.73 110.953 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.416 ' HB3' H231 ' A' ' 200' ' ' CHO . 7.7 tpt -71.26 -32.26 68.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.951 -0.568 . . . . 0.97 111.299 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.424 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -103.62 14.35 53.68 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 119.907 -1.14 . . . . 0.51 114.056 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.552 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.3 ptp180 -105.1 139.03 40.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.434 0.617 . . . . 2.27 110.282 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.43 19.12 11.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.399 0.618 . . . . 1.78 110.334 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.2 m -104.31 153.52 20.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.309 -0.859 . . . . 1.16 110.296 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -91.33 92.1 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.17 0.509 . . . . 2.49 111.94 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.28 111.38 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.629 -0.878 . . . . 0.66 108.629 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.407 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 2.3 t -83.95 139.1 18.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.233 -0.439 . . . . 0.37 110.686 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' A' ' 50' ' ' THR . 33.5 m -122.43 104.89 9.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.201 -0.454 . . . . 0.33 109.875 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.8 120.22 35.69 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.165 -0.309 . . . . 1.39 110.165 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.9 t -113.49 129.17 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 123.556 0.535 . . . . 0.22 111.404 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.443 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 47.4 t -118.22 130.14 73.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.313 -0.995 . . . . 0.95 108.313 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -94.08 112.68 24.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.959 0.409 . . . . 2.06 111.973 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -118.97 73.68 0.94 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.737 -0.838 . . . . 1.73 108.737 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.16 -99.37 0.78 Allowed Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.726 -0.95 . . . . 0.4 110.726 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -114.2 5.53 15.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.327 0.584 . . . . 0.43 109.49 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 33.4 t70 -104.09 111.57 24.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.287 -0.87 . . . . 1.36 110.004 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -109.15 134.64 51.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.11 -0.496 . . . . 1.0 109.983 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -100.48 120.83 40.59 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.108 -0.496 . . . . 0.56 111.68 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -101.38 102.97 13.89 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.209 -0.663 . . . . 0.42 109.209 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.61 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.3 m -105.71 114.38 28.51 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.274 -0.421 . . . . 0.35 111.186 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -100.45 118.7 37.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.056 -0.35 . . . . 1.62 110.056 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.407 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 97.9 m-70 -105.32 130.61 53.4 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.141 -0.481 . . . . 0.37 110.208 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -108.75 130.67 22.46 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.814 -0.63 . . . . 1.23 110.245 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.71 112.9 2.78 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 121.622 1.548 . . . . 0.46 111.624 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.47 27.71 72.23 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 115.903 -0.59 . . . . 0.46 113.103 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.95 -167.01 13.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.298 -0.953 . . . . 0.41 113.234 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.901 ' NH2' H221 ' A' ' 200' ' ' CHO . 0.0 OUTLIER -73.69 148.62 42.53 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.117 0.484 . . . . 3.34 111.513 -179.225 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -102.11 154.07 19.34 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.066 -0.515 . . . . 0.39 109.677 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -132.65 115.21 15.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.444 -0.344 . . . . 0.49 110.303 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.9 m -124.06 128.02 48.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.952 0.406 . . . . 0.31 111.961 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.501 ' OD1' ' H7 ' ' A' ' 201' ' ' CHO . 0.2 OUTLIER -135.92 122.99 21.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.848 -0.615 . . . . 1.72 110.04 178.145 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.9 p -97.67 132.2 43.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.2 -0.909 . . . . 1.04 109.138 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.473 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 52.7 p90 -133.8 138.28 45.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.535 0.683 . . . . 0.88 111.457 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.536 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 95.0 m -107.02 127.2 53.25 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.024 -0.989 . . . . 0.25 108.561 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -53.47 128.89 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.02 0.438 . . . . 0.24 111.038 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 70.32 24.81 4.63 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.117 -0.947 . . . . 1.1 110.319 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.536 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.6 tptt -137.84 141.52 40.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.518 -0.765 . . . . 1.59 110.311 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -70.03 135.64 49.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.73 -0.841 . . . . 2.55 108.73 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.78 143.9 51.11 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.998 0.428 . . . . 0.31 111.796 -178.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.94 116.14 19.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.162 -1.051 . . . . 1.95 108.162 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.523 ' SD ' H191 ' A' ' 201' ' ' CHO . 23.2 mtt -120.6 163.68 17.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.413 0.625 . . . . 0.26 112.173 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.625 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 10.0 tt0 -153.42 145.15 23.43 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.863 -1.162 . . . . 1.47 107.863 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.874 HG22 H162 ' A' ' 201' ' ' CHO . 20.8 p -103.2 167.63 9.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.136 0.494 . . . . 0.36 110.788 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.715 ' SD ' H122 ' A' ' 200' ' ' CHO . 54.2 mtt -64.12 -14.13 52.72 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.394 -0.821 . . . . 1.05 110.353 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.34 -9.27 67.28 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.897 -0.592 . . . . 0.48 112.204 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.35 31.23 8.08 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.065 -0.588 . . . . 0.48 113.501 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.625 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 5.7 mtp85 -91.44 122.54 34.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.567 -0.373 . . . . 0.85 110.959 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -96.43 120.83 37.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.564 -0.902 . . . . 1.76 108.564 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.785 ' HZ ' H181 ' A' ' 201' ' ' CHO . 35.6 p90 -164.02 176.21 9.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.063 0.458 . . . . 1.17 111.874 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -141.82 142.81 33.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.311 -0.859 . . . . 2.55 109.903 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.44 161.41 39.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.12 -0.491 . . . . 0.24 110.483 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -103.45 122.47 44.95 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.3 -0.63 . . . . 0.33 109.3 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.44 140.06 22.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.267 -0.424 . . . . 0.19 110.184 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.421 ' HG3' HG13 ' A' ' 91' ' ' VAL . 9.1 pttt -128.1 178.74 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.789 -0.448 . . . . 1.14 109.789 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.5 mtt -131.57 117.86 19.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.605 -0.27 . . . . 0.41 110.29 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -110.4 96.66 6.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.916 0.389 . . . . 2.67 110.933 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.45 43.45 92.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.251 -0.499 . . . . 0.46 112.918 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.48 23.06 68.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.36 112.786 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -124.28 122.21 37.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.491 -0.559 . . . . 1.76 109.491 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.445 HG21 ' CE1' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -77.94 108.95 11.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.745 -0.465 . . . . 0.22 109.745 179.349 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.421 HG13 ' HG3' ' A' ' 84' ' ' LYS . 4.2 p -115.7 133.67 61.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.043 -0.526 . . . . 0.25 110.982 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.615 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -117.51 141.54 48.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.805 -0.634 . . . . 0.25 109.654 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.92 122.45 44.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.321 0.581 . . . . 1.19 111.595 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.537 ' CE2' H111 ' A' ' 201' ' ' CHO . 75.8 m-85 -139.48 157.63 70.06 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.093 -0.958 . . . . 1.27 110.288 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.51 112.41 1.93 Allowed 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 121.986 1.791 . . . . 0.36 111.747 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 114' ' ' SER . 0.7 OUTLIER 61.99 12.92 5.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.634 -0.712 . . . . 1.5 111.866 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.562 ' CZ ' H213 ' A' ' 201' ' ' CHO . 7.1 t80 -130.28 126.3 36.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.431 -0.581 . . . . 1.31 109.431 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.501 ' O ' ' HA ' ' A' ' 112' ' ' SER . 34.6 t60 -122.99 115.18 21.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.998 -0.546 . . . . 1.09 109.599 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.727 ' ND1' H122 ' A' ' 201' ' ' CHO . 3.1 t-160 -113.01 115.76 28.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.661 0.267 . . . . 0.67 110.749 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.3 p -125.87 128.79 48.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.223 -0.444 . . . . 0.31 109.916 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.5 137.13 52.75 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 123.134 0.271 . . . . 0.26 110.455 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.59 -176.23 5.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.101 0.477 . . . . 1.38 111.096 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.479 HD13 HD22 ' A' ' 108' ' ' LEU . 23.2 mm -115.24 123.49 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.18 -0.918 . . . . 0.37 109.444 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.6 m -132.83 104.02 6.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.226 -0.443 . . . . 1.37 109.893 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.51 36.14 76.46 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.894 -0.594 . . . . 0.96 112.375 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.14 26.2 72.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.024 -0.607 . . . . 0.5 111.936 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -132.99 147.87 52.27 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.718 -0.241 . . . . 1.22 110.368 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.485 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -91.91 114.75 27.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.813 -0.81 . . . . 0.82 108.813 179.202 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -116.29 108.1 24.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.7 0.762 . . . . 0.33 109.719 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.466 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 6.6 mt-10 -96.03 119.0 33.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.163 -0.926 . . . . 1.69 109.705 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.33 129.98 50.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.816 -0.629 . . . . 0.37 109.716 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 72.9 m -128.71 111.2 12.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.076 -0.511 . . . . 0.37 110.141 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -96.59 131.46 43.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.145 -0.479 . . . . 0.27 110.48 179.041 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 43.7 p -140.63 111.68 7.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.667 -0.494 . . . . 1.43 109.667 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.4 m 59.18 26.61 15.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.89 -0.595 . . . . 0.63 111.443 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.63 -28.35 13.64 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.735 -0.745 . . . . 0.46 113.189 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 113' ' ' THR . 71.0 t -72.4 126.57 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.911 0.356 . . . . 0.53 111.096 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 113' ' ' THR . 61.3 t -100.1 105.4 17.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.868 -0.606 . . . . 0.97 110.756 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -91.84 127.31 37.25 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.81 -0.632 . . . . 1.22 109.41 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -121.58 130.13 53.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.955 0.407 . . . . 1.17 111.17 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.466 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -127.96 123.41 34.77 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.426 -0.583 . . . . 2.48 109.426 178.251 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 3.8 m -101.33 118.63 37.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.588 -0.733 . . . . 0.43 110.009 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 1.4 m -116.85 132.05 56.8 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.823 -0.626 . . . . 0.38 110.434 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 8.1 pttm -81.0 155.52 26.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.919 -0.582 . . . . 1.45 110.24 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.509 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -98.7 123.98 43.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 1.45 110.728 -179.556 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.571 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -139.98 167.59 18.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.714 -0.847 . . . . 0.35 108.714 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.55 -0.738 . . . . 1.27 111.026 179.84 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.901 H221 ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.874 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.628 0.251 . . . . 1.11 110.739 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -86.03 -27.52 24.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.511 -0.313 . . . . 1.24 110.666 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -62.53 141.66 58.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.125 -0.489 . . . . 0.26 110.914 179.615 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.28 168.39 12.03 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 120.571 -0.823 . . . . 0.21 111.714 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.6 142.41 30.22 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.836 -0.801 . . . . 1.54 108.836 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 83.3 m-85 -128.63 140.7 51.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.557 -0.292 . . . . 1.29 110.756 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -124.49 158.07 33.75 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.249 -0.432 . . . . 1.41 110.68 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.91 135.68 23.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 1.86 111.388 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -137.37 -55.45 0.7 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.568 -0.742 . . . . 1.46 109.837 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.5 m -152.39 144.28 23.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.15 -0.477 . . . . 1.01 110.841 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.8 151.43 45.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 1.72 110.1 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 4.1 tt0 -135.33 147.5 49.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.478 -0.328 . . . . 1.44 110.609 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 58.48 45.04 17.08 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.573 -0.74 . . . . 0.84 110.923 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.702 ' OH ' ' HA ' ' A' ' 32' ' ' ARG . 1.9 t80 -64.48 -68.82 0.32 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.497 -0.774 . . . . 1.39 111.996 -178.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.463 ' HA ' HG22 ' A' ' 18' ' ' VAL . 13.0 m-20 -64.81 -35.57 81.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.338 -0.392 . . . . 1.3 111.251 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -60.4 -42.73 96.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.271 0.558 . . . . 1.46 110.768 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -67.68 -53.39 28.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.676 -0.693 . . . . 1.24 111.112 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.5 m -63.13 -35.22 70.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.022 -0.535 . . . . 0.26 111.803 -178.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -71.33 -28.72 64.29 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.821 0.344 . . . . 1.18 110.48 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -75.1 -46.62 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.88 111.022 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.4 pt -74.19 -9.27 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.39 111.576 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.02 32.55 48.76 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.884 -0.674 . . . . 0.39 112.645 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.693 HD23 HG12 ' A' ' 28' ' ' ILE . 20.1 tp -68.08 133.14 91.79 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.441 -0.577 . . . . 0.31 109.441 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' A' ' 23' ' ' LEU . 19.8 Cg_endo -61.69 136.61 63.49 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.125 1.883 . . . . 0.37 111.457 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.38 67.8 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.026 -0.534 . . . . 0.39 110.983 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.12 -42.98 86.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.522 -0.763 . . . . 2.03 110.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HE3' H222 ' A' ' 200' ' ' CHO . 23.7 mmmt -86.87 -23.16 25.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.432 -0.349 . . . . 0.94 110.453 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.693 HG12 HD23 ' A' ' 23' ' ' LEU . 21.7 mt -62.37 -57.3 12.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.196 0 CA-C-O 120.907 0.384 . . . . 0.37 109.986 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.25 -28.47 68.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 1.73 110.209 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.9 tpt -68.46 -35.55 77.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.662 -0.699 . . . . 0.97 110.153 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.7 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -114.91 43.53 1.67 Allowed Glycine 0 N--CA 1.44 -1.092 0 C-N-CA 120.549 -0.834 . . . . 0.51 112.299 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.702 ' HA ' ' OH ' ' A' ' 14' ' ' TYR . 7.4 ptm180 -124.31 134.1 53.28 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.773 0.321 . . . . 2.27 110.335 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 63.67 27.52 14.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.371 -0.831 . . . . 1.78 110.408 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.4 m -97.53 140.03 32.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.116 -0.493 . . . . 1.16 110.885 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HG2' ' H ' ' A' ' 35' ' ' LYS . 22.4 pttt -72.77 85.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 2.49 110.997 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.3 mm -85.37 123.75 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.6 . . . . 0.66 110.019 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 t -100.78 128.43 52.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.272 -0.422 . . . . 0.37 110.077 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.7 m -110.03 105.79 15.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.156 -0.474 . . . . 0.33 109.857 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -100.64 114.81 28.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.778 0.323 . . . . 1.39 110.237 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' THR . 59.5 t -109.31 135.14 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 0.22 112.352 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -123.01 132.51 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.96 -0.756 . . . . 0.95 108.96 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 51.4 tt0 -91.43 115.27 27.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.028 0.442 . . . . 2.06 111.721 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -126.61 76.43 1.63 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.831 -0.622 . . . . 1.73 109.366 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.09 -102.76 1.28 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 110.649 -0.98 . . . . 0.4 110.649 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.67 6.46 12.42 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.217 -0.66 . . . . 0.43 109.217 177.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -102.43 110.36 22.28 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.121 -0.945 . . . . 1.36 109.057 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -106.49 130.86 54.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -95.23 129.1 42.48 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.048 -0.524 . . . . 0.56 111.713 -179.695 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.673 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -110.49 103.09 11.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.202 -0.666 . . . . 0.42 109.202 179.115 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.618 ' O ' ' HA ' ' A' ' 38' ' ' THR . 4.7 m -101.65 121.74 42.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.904 -0.589 . . . . 0.35 110.746 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -107.46 117.69 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.641 -0.503 . . . . 1.62 109.641 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -105.1 126.29 51.92 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.387 0.613 . . . . 0.37 111.307 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.466 ' CZ ' H211 ' A' ' 200' ' ' CHO . 2.3 t80 -106.06 122.31 42.74 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 114.745 -1.116 . . . . 1.23 109.79 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.5 Cg_endo -64.79 114.05 2.6 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.136 1.891 . . . . 0.46 112.175 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.58 28.82 72.94 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.861 -0.685 . . . . 0.46 112.526 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.97 -166.67 11.76 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.369 -0.919 . . . . 0.41 112.374 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.47 140.49 38.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 3.34 110.449 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -95.23 158.65 15.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.203 -0.453 . . . . 0.39 110.663 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.1 126.28 24.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.86 -0.609 . . . . 0.49 109.555 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 m -136.7 121.2 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.133 -0.354 . . . . 0.31 111.257 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.475 ' OD1' ' HA ' ' A' ' 71' ' ' MET . 38.0 m-80 -129.77 143.84 51.01 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.118 0.485 . . . . 1.72 110.96 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.7 p -115.81 128.7 56.03 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.383 -0.826 . . . . 1.04 109.297 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.445 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 45.9 p90 -131.32 140.11 49.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.101 0.477 . . . . 0.88 111.172 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 34.2 m -107.32 130.93 54.71 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.743 -0.662 . . . . 0.25 109.378 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.48 HG23 ' HA ' ' A' ' 84' ' ' LYS . 51.8 mm -54.1 125.46 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 116.36 -0.382 . . . . 0.24 111.29 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.17 29.36 3.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.359 1.064 . . . . 1.1 110.583 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 5.5 tppt? -138.15 151.95 48.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.752 -0.658 . . . . 1.59 111.231 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 59.2 mm-40 -72.57 130.84 41.53 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.62 -0.882 . . . . 2.55 108.62 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -129.16 135.63 49.11 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.412 -0.515 . . . . 0.31 112.039 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.5 117.23 15.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.348 -0.842 . . . . 1.95 109.152 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.532 ' SD ' ' C19' ' A' ' 201' ' ' CHO . 31.0 mtt -119.65 165.99 13.76 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.597 0.962 . . . . 0.26 113.597 -178.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 28.6 tt0 -155.18 142.74 19.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.138 -0.937 . . . . 1.47 109.115 178.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.948 HG22 H162 ' A' ' 201' ' ' CHO . 43.3 p -98.83 173.16 7.0 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.787 -0.449 . . . . 0.36 109.787 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.814 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 28.4 mtt -76.5 -12.53 60.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.199 -0.455 . . . . 1.05 110.287 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' N ' H161 ' A' ' 200' ' ' CHO . . . -84.09 -8.04 84.45 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.797 -0.716 . . . . 0.48 111.385 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.75 33.0 6.9 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.963 -0.637 . . . . 0.48 112.513 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.0 mtp180 -97.38 125.11 41.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.779 -0.368 . . . . 0.85 110.491 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.43 122.69 44.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.873 -0.788 . . . . 1.76 108.873 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.775 ' HZ ' H181 ' A' ' 201' ' ' CHO . 41.9 p90 -163.78 -179.88 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.616 -0.72 . . . . 1.17 109.785 -177.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.73 154.49 40.61 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.873 -0.788 . . . . 2.55 108.873 176.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.94 164.33 39.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.173 0.511 . . . . 0.24 112.067 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.3 137.2 32.84 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.629 -0.714 . . . . 0.33 110.264 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.0 144.37 32.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.457 -0.571 . . . . 0.19 109.457 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.605 ' HG2' HG13 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -140.76 172.4 12.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.905 0.32 . . . . 1.14 110.915 179.431 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 mtt -120.57 122.71 41.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.642 -0.253 . . . . 0.41 110.627 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -120.36 96.8 5.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.895 0.379 . . . . 2.67 110.969 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.78 37.27 66.37 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 121.16 -0.543 . . . . 0.46 113.162 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.04 28.27 46.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.36 111.946 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -133.99 121.09 21.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.798 -0.445 . . . . 1.76 109.798 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.1 mt -79.51 110.64 15.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 110.003 -0.369 . . . . 0.22 110.003 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.605 HG13 ' HG2' ' A' ' 84' ' ' LYS . 3.7 p -114.1 132.55 62.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.228 0.537 . . . . 0.25 110.805 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.654 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -108.45 136.04 48.74 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.324 -0.853 . . . . 0.25 109.93 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -93.72 122.96 36.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.035 0.445 . . . . 1.19 111.741 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 97' ' ' TYR . 76.7 m-85 -143.88 153.12 57.04 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 1.27 110.572 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.15 115.34 4.11 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.194 1.929 . . . . 0.36 111.367 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 114' ' ' SER . 64.4 t30 69.39 16.17 8.32 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.385 0.612 . . . . 1.5 110.271 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.584 ' CZ ' H213 ' A' ' 201' ' ' CHO . 4.4 t80 -144.73 126.52 15.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 1.31 109.84 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.546 ' O ' ' HA ' ' A' ' 112' ' ' SER . 20.3 t60 -123.86 117.18 24.26 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.368 -0.605 . . . . 1.09 109.368 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.682 ' ND1' H122 ' A' ' 201' ' ' CHO . 1.8 t60 -116.24 118.25 32.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.759 -0.201 . . . . 0.67 110.732 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.9 p -127.41 129.1 46.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.744 0.307 . . . . 0.31 111.113 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.75 131.58 56.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.44 -0.345 . . . . 0.26 110.109 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.24 175.36 10.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.042 0.448 . . . . 1.38 110.907 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.9 mm -124.21 111.6 29.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.506 -0.77 . . . . 0.37 109.574 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 m -132.31 106.7 8.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.213 -0.448 . . . . 1.37 110.394 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.12 27.82 29.94 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.949 -0.569 . . . . 0.96 111.837 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.92 30.6 72.33 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.817 -0.706 . . . . 0.5 111.445 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -138.31 149.86 46.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.054 0.454 . . . . 1.22 110.364 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.429 HD11 ' HG3' ' A' ' 110' ' ' GLU . 2.9 tm? -93.72 113.47 25.55 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.458 -0.792 . . . . 0.82 109.04 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -117.19 109.46 27.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.524 0.678 . . . . 0.33 109.72 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 108' ' ' LEU . 30.5 mt-10 -96.14 131.35 42.68 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.412 -0.813 . . . . 1.69 110.195 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.479 HG23 HG13 ' A' ' 118' ' ' VAL . 4.2 mp -112.02 124.03 68.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.002 -0.545 . . . . 0.37 109.706 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 19.5 m -122.12 109.9 15.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.933 -0.576 . . . . 0.37 109.735 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -99.52 134.17 42.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.31 -0.405 . . . . 0.27 111.107 -179.698 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 56.5 m -144.32 107.27 4.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.173 -0.467 . . . . 1.43 109.986 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.1 m 60.41 33.14 20.73 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.698 -0.683 . . . . 0.63 111.576 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.65 -36.74 4.18 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.501 -0.857 . . . . 0.46 113.278 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 113' ' ' THR . 56.2 t -68.01 123.3 21.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.863 0.363 . . . . 0.53 111.144 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.561 HG22 HG23 ' A' ' 113' ' ' THR . 99.8 t -100.76 107.93 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.89 -0.595 . . . . 0.97 111.026 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -92.22 112.85 24.95 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.069 -0.514 . . . . 1.22 109.758 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.48 ' HD2' ' OE2' ' A' ' 12' ' ' GLU . 22.3 mttt -107.64 131.29 54.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.566 -0.288 . . . . 1.17 111.155 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -131.41 118.84 20.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.569 0.7 . . . . 2.48 109.587 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.2 m -102.32 123.27 45.82 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.577 -0.738 . . . . 0.43 110.125 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.8 m -121.62 136.64 54.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.243 -0.435 . . . . 0.38 110.059 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.0 pttm -80.18 156.9 26.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.354 -0.384 . . . . 1.45 110.24 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 126.8 41.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.461 . . . . 1.45 111.213 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.36 166.52 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.438 -0.801 . . . . 0.35 109.507 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.576 -0.726 . . . . 1.27 109.851 179.056 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.814 ' H17' ' HB3' ' A' ' 74' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.948 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.888 0.375 . . . . 1.11 110.763 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -98.56 -23.68 15.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.511 -0.313 . . . . 1.24 111.026 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.56 138.17 58.25 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.059 0.392 . . . . 0.26 112.059 -179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 170.02 11.75 Favored Glycine 0 N--CA 1.44 -1.061 0 C-N-CA 120.737 -0.744 . . . . 0.21 112.413 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 141.87 28.1 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.58 -0.896 . . . . 1.54 108.58 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 97.2 m-85 -127.05 142.53 51.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.504 -0.316 . . . . 1.29 110.34 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' HG2' HG22 ' A' ' 37' ' ' VAL . 32.6 mt-10 -129.69 148.31 51.56 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.973 -0.291 . . . . 1.41 110.348 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.402 ' HE1' ' HB2' ' A' ' 11' ' ' ASP . 22.0 t80 -45.65 114.33 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.292 0.995 . . . . 1.86 112.682 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -109.85 -56.16 2.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.461 -0.791 . . . . 1.46 110.341 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 m -146.37 166.18 27.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.51 -0.314 . . . . 1.01 110.66 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.557 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 8.6 t70 -151.57 156.19 39.97 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.0 -0.37 . . . . 1.72 110.0 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 27.7 tt0 -151.85 136.77 17.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 1.44 111.112 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.07 36.35 9.86 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.219 -0.9 . . . . 0.84 112.098 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.557 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 38.4 t80 -63.52 -62.81 1.43 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.313 0.486 . . . . 1.39 112.313 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.9 m-20 -58.63 -38.46 78.11 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.113 0.412 . . . . 1.3 112.113 -178.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.76 -39.74 89.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.325 0.583 . . . . 1.46 109.642 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.456 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 59.6 t80 -68.26 -55.58 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.059 -0.973 . . . . 1.24 111.155 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 15' ' ' ASP . 31.5 m -60.86 -35.4 64.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.086 -0.507 . . . . 0.26 112.126 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -71.09 -26.93 63.26 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 120.913 -0.315 . . . . 1.18 110.949 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -81.6 -44.4 17.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.841 0.353 . . . . 0.88 111.625 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.425 HG12 ' HA ' ' A' ' 18' ' ' VAL . 25.6 pt -70.75 -17.07 20.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.271 -0.422 . . . . 0.39 111.685 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.43 39.18 9.17 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.768 -0.729 . . . . 0.39 112.354 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.646 HD11 H152 ' A' ' 200' ' ' CHO . 16.0 tp -78.36 134.41 62.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.16 -0.311 . . . . 0.31 110.16 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' HD12 ' A' ' 23' ' ' LEU . 36.2 Cg_endo -67.78 145.59 69.55 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.399 2.066 . . . . 0.37 111.795 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.73 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 0.39 111.521 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 30' ' ' MET . 13.3 m-20 -59.18 -37.17 76.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.552 -0.749 . . . . 2.03 111.705 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HB3' H181 ' A' ' 200' ' ' CHO . 75.4 mmtt -88.43 -34.26 17.58 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 121.036 -0.266 . . . . 0.94 110.642 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.556 HG12 HD23 ' A' ' 23' ' ' LEU . 64.3 mt -55.83 -56.51 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.37 110.904 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 11.5 mm-40 -67.39 -31.61 71.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.143 0.497 . . . . 1.73 111.116 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.471 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 9.4 tpt -65.76 -38.77 89.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.57 -0.741 . . . . 0.97 110.178 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.447 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -109.85 37.91 3.56 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.766 -0.73 . . . . 0.51 114.253 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.537 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.5 ptp180 -119.9 135.46 54.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.87 0.835 . . . . 2.27 111.011 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 59.46 22.51 11.03 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.4 -0.818 . . . . 1.78 111.95 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' SG ' ' HE1' ' A' ' 53' ' ' PHE . 1.1 p -94.16 151.49 19.44 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.085 -0.339 . . . . 1.16 110.085 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' HG3' ' HG3' ' A' ' 54' ' ' PRO . 2.5 ptpt -80.68 88.97 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.721 0.772 . . . . 2.49 111.782 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mm -85.35 123.74 39.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.728 -0.669 . . . . 0.66 109.741 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 5.4 t -98.33 125.46 51.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.262 -0.427 . . . . 0.37 110.166 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.701 ' HA ' ' O ' ' A' ' 50' ' ' THR . 25.0 m -107.6 106.0 16.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.759 -0.655 . . . . 0.33 110.289 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.453 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 58.9 mt-10 -94.18 117.66 30.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.048 -0.352 . . . . 1.39 110.048 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 48' ' ' THR . 59.7 t -111.11 124.47 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 123.467 0.48 . . . . 0.22 111.376 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.49 126.75 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 108.602 -0.888 . . . . 0.95 108.602 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -91.91 120.87 32.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.042 0.449 . . . . 2.06 111.853 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -128.16 75.34 1.61 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.715 -0.675 . . . . 1.73 109.235 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.07 -95.81 0.76 Allowed Glycine 0 CA--C 1.507 -0.42 0 N-CA-C 111.339 -0.704 . . . . 0.4 111.339 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.16 9.23 10.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.229 -0.656 . . . . 0.43 109.229 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.485 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 35.5 t70 -108.13 108.97 20.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.07 -0.968 . . . . 1.36 109.339 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -104.69 137.7 42.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 73.2 p -99.08 139.08 35.25 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 120.937 0.399 . . . . 0.56 110.531 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.7 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.8 OUTLIER -118.4 102.45 8.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.956 -0.565 . . . . 0.42 109.503 179.214 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.701 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.3 m -101.92 124.36 47.41 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.089 -0.505 . . . . 0.35 110.232 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.507 ' HB3' ' HE3' ' A' ' 74' ' ' MET . 18.3 mm-40 -110.14 116.8 32.19 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.384 -0.599 . . . . 1.62 109.384 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.431 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 92.9 m-70 -105.66 125.9 51.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.106 0.479 . . . . 0.37 111.304 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.471 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 2.2 t80 -102.15 122.64 46.18 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-N 115.163 -0.926 . . . . 1.23 109.344 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 39.7 Cg_endo -66.03 114.4 2.98 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.257 1.971 . . . . 0.46 111.147 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.9 26.99 71.42 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.588 -0.815 . . . . 0.46 112.091 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.21 -165.15 11.59 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.497 -0.859 . . . . 0.41 113.064 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.466 HH12 HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -78.88 146.74 33.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.988 0.423 . . . . 3.34 111.187 -179.664 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -98.47 156.79 16.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.237 -0.438 . . . . 0.39 110.691 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.466 HG23 HH12 ' A' ' 57' ' ' ARG . 1.2 m -136.51 114.04 10.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.262 -0.427 . . . . 0.49 110.454 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.404 HG23 HG23 ' A' ' 50' ' ' THR . 3.7 m -121.83 127.06 50.12 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.874 0.324 . . . . 0.31 111.874 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.504 ' OD1' ' HA ' ' A' ' 71' ' ' MET . 46.5 m-80 -138.37 130.51 28.58 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.107 0.48 . . . . 1.72 110.578 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.3 p -105.2 136.65 44.32 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.696 -0.684 . . . . 1.04 109.38 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.469 ' CE2' HG21 ' A' ' 90' ' ' ILE . 53.4 p90 -136.2 138.07 41.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.434 0.635 . . . . 0.88 111.832 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.547 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 80.7 m -105.29 132.8 51.03 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.614 -0.721 . . . . 0.25 109.638 178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.22 126.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.491 -0.322 . . . . 0.24 110.687 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t70 75.65 25.08 1.23 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.887 0.851 . . . . 1.1 109.139 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.547 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 9.7 tppt? -137.68 149.45 46.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.997 -1.001 . . . . 1.59 110.776 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -83.51 126.81 33.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.851 -0.796 . . . . 2.55 108.851 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -123.47 140.76 52.68 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.457 0.54 . . . . 0.31 112.457 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.7 115.37 13.04 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.304 -0.628 . . . . 1.95 109.304 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.552 ' SD ' ' C19' ' A' ' 201' ' ' CHO . 8.0 mtt -115.44 161.38 18.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.951 0.722 . . . . 0.26 112.951 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.531 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 30.5 tt0 -148.74 143.48 26.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.469 -0.787 . . . . 1.47 109.764 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.888 HG22 H162 ' A' ' 201' ' ' CHO . 25.4 p -101.05 168.41 9.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.492 -0.558 . . . . 0.36 109.492 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.708 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 40.1 mtt -75.12 -1.1 21.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.851 0.358 . . . . 1.05 110.099 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.39 -1.36 64.43 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.325 -0.71 . . . . 0.48 111.325 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.99 25.48 26.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.014 -0.612 . . . . 0.48 112.337 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.531 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 12.3 mtp180 -93.24 120.17 33.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.965 0.412 . . . . 0.85 110.948 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -100.26 123.19 44.19 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.614 -0.884 . . . . 1.76 108.614 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.795 ' HZ ' H181 ' A' ' 201' ' ' CHO . 42.6 p90 -163.39 -177.15 5.13 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 116.169 -0.469 . . . . 1.17 109.77 -177.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.6 151.25 29.52 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.735 -0.839 . . . . 2.55 108.735 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.68 164.92 34.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.854 0.359 . . . . 0.24 111.727 -177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.35 133.42 39.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.828 -0.624 . . . . 0.33 110.095 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -119.3 137.16 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.089 -0.505 . . . . 0.19 110.601 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.531 ' HG2' HG13 ' A' ' 91' ' ' VAL . 2.4 pttp -129.72 168.66 16.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.654 0.264 . . . . 1.14 110.408 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -121.83 128.54 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.765 0.316 . . . . 0.41 110.41 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -141.02 119.17 12.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.373 -0.376 . . . . 2.67 110.408 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.23 31.63 71.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.019 -0.61 . . . . 0.46 112.06 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.12 31.41 69.3 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.816 -0.707 . . . . 0.36 111.341 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -133.1 129.62 38.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.028 -0.36 . . . . 1.76 110.028 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.469 HG21 ' CE2' ' A' ' 63' ' ' PHE . 1.8 mt -84.11 111.35 19.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.074 -0.512 . . . . 0.22 110.026 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.531 HG13 ' HG2' ' A' ' 84' ' ' LYS . 6.3 p -114.07 133.26 60.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.223 0.535 . . . . 0.25 110.223 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.582 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -107.43 136.86 46.5 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.038 -0.528 . . . . 0.25 111.082 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -86.67 119.53 27.01 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.3 -0.409 . . . . 1.19 111.722 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 70.6 m-85 -146.31 151.63 44.46 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.902 -0.59 . . . . 1.27 110.878 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.54 115.53 4.33 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.727 2.285 . . . . 0.36 111.557 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 114' ' ' SER . 7.0 t-20 64.57 17.77 11.04 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.31 0.576 . . . . 1.5 110.56 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.671 ' CZ ' H213 ' A' ' 201' ' ' CHO . 4.0 t80 -140.06 130.1 24.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.403 0.62 . . . . 1.31 110.191 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -129.56 111.66 12.95 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.824 -0.626 . . . . 1.09 110.095 179.285 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.468 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 5.6 t60 -112.56 115.55 28.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.022 0.439 . . . . 0.67 110.579 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.4 HG22 ' HB ' ' A' ' 91' ' ' VAL . 22.8 p -123.05 129.41 51.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.944 -0.571 . . . . 0.31 110.922 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.1 134.95 54.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.31 -0.405 . . . . 0.26 110.161 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.86 176.67 11.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.668 0.271 . . . . 1.38 111.228 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.3 mm -115.02 111.79 37.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.787 -0.642 . . . . 0.37 109.958 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.0 m -123.74 105.55 9.77 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.006 0.431 . . . . 1.37 110.427 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.28 36.23 50.9 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.96 111.903 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.71 26.33 74.55 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 121.167 -0.54 . . . . 0.5 112.403 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -135.08 148.22 49.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.827 0.346 . . . . 1.22 111.272 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -88.92 116.52 27.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.01 -0.737 . . . . 0.82 109.01 179.23 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.6 p -120.6 111.39 31.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 N-CA-C 109.724 -0.473 . . . . 0.33 109.724 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.409 ' HG3' HD12 ' A' ' 108' ' ' LEU . 22.9 mt-10 -99.08 134.8 41.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.698 -0.683 . . . . 1.69 110.385 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 4.2 mp -115.66 130.51 70.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.656 -0.702 . . . . 0.37 109.632 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.6 m -125.34 108.78 12.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.26 -0.645 . . . . 0.37 109.26 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -98.93 128.41 45.09 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.405 -0.362 . . . . 0.27 111.635 -179.515 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 53.0 p -137.41 108.01 6.57 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.428 -0.582 . . . . 1.43 109.428 178.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.6 m 57.9 41.44 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.129 0.49 . . . . 0.63 111.116 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.74 -32.43 5.83 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.63 -0.795 . . . . 0.46 112.819 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 113' ' ' THR . 98.0 t -65.27 113.4 2.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.725 0.297 . . . . 0.53 110.419 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 113' ' ' THR . 57.3 t -95.7 109.45 22.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.111 -0.495 . . . . 0.97 111.038 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 111' ' ' ILE . 69.7 t80 -94.02 134.64 36.21 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.747 -0.661 . . . . 1.22 109.821 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.412 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 72.5 mttt -130.27 138.38 50.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.775 0.321 . . . . 1.17 111.555 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -141.21 122.2 14.57 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.171 -0.677 . . . . 2.48 109.171 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.9 m -100.22 131.15 46.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.566 -0.743 . . . . 0.43 110.636 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.9 m -126.78 132.87 50.95 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.008 -0.542 . . . . 0.38 110.186 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 53.1 pttt -80.01 155.31 27.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.196 -0.456 . . . . 1.45 109.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.533 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -99.78 122.92 43.47 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.019 -0.363 . . . . 1.45 110.019 -179.413 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.94 164.69 34.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.905 -0.589 . . . . 0.35 109.61 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.968 -0.539 . . . . 1.27 110.309 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 1.059 ' C7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 1.059 H262 ' C7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.62 0.247 . . . . 1.11 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -83.52 -25.13 31.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.462 -0.335 . . . . 1.24 110.258 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -61.72 139.52 58.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 0.26 111.505 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.05 172.06 12.76 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.448 -0.882 . . . . 0.21 112.169 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -97.51 142.14 29.71 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.818 -1.178 . . . . 1.54 107.818 178.028 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.517 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 99.6 m-85 -126.28 139.2 53.5 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.753 -0.379 . . . . 1.29 110.959 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 62.6 mt-10 -122.85 142.92 50.24 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.355 -0.839 . . . . 1.41 108.951 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.73 129.96 17.16 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.732 0.645 . . . . 1.86 111.04 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -123.52 -55.24 1.74 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.958 -0.564 . . . . 1.46 110.537 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.5 m -148.69 164.97 32.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.258 -0.428 . . . . 1.01 110.708 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.87 159.3 44.64 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.475 -0.565 . . . . 1.72 109.475 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 4.9 tt0 -145.87 138.72 25.81 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.957 -0.565 . . . . 1.44 110.031 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 58.76 41.41 21.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.903 -1.044 . . . . 0.84 111.586 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.64 -57.8 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.031 -0.268 . . . . 1.39 111.322 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' HA ' HG22 ' A' ' 18' ' ' VAL . 6.2 m-20 -60.87 -38.31 85.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.751 0.31 . . . . 1.3 111.727 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -40.71 94.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.344 0.592 . . . . 1.46 110.285 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' O ' HG12 ' A' ' 21' ' ' ILE . 73.2 t80 -64.54 -51.35 63.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.256 -0.884 . . . . 1.24 110.654 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.7 m -64.42 -37.83 81.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.648 . . . . 0.26 111.789 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 2.0 mmpt? -67.03 -32.38 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.676 -0.41 . . . . 1.18 110.295 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -73.43 -53.81 9.78 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.928 -0.578 . . . . 0.88 111.488 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 17' ' ' PHE . 19.7 pt -68.69 -3.81 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.861 -0.609 . . . . 0.39 111.235 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.77 39.1 93.5 Favored Glycine 0 C--O 1.237 0.304 0 C-N-CA 121.269 -0.491 . . . . 0.39 113.267 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD23 HG12 ' A' ' 28' ' ' ILE . 16.8 tp -73.42 134.83 79.33 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.134 -0.321 . . . . 0.31 110.134 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.469 ' HD2' HD12 ' A' ' 23' ' ' LEU . 30.5 Cg_endo -66.68 141.89 61.87 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.234 1.956 . . . . 0.37 111.41 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.25 -37.58 62.22 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.116 -0.493 . . . . 0.39 111.68 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' MET . 4.6 t70 -54.7 -40.29 69.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.447 -0.797 . . . . 2.03 111.056 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HD2' H222 ' A' ' 200' ' ' CHO . 35.5 mmtt -88.56 -32.44 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.587 -0.278 . . . . 0.94 110.936 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.513 HG12 HD23 ' A' ' 23' ' ' LEU . 79.9 mt -57.28 -61.25 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.498 . . . . 0.37 111.378 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.4 -29.35 68.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.838 -0.619 . . . . 1.73 111.117 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.463 ' HG2' H231 ' A' ' 200' ' ' CHO . 11.1 tpt -67.66 -40.34 84.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.791 -0.64 . . . . 0.97 110.461 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.553 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -97.45 25.06 28.76 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.709 -0.757 . . . . 0.51 113.157 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -125.06 145.8 49.74 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 122.218 -0.578 . . . . 2.27 110.58 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 57.88 27.03 14.03 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.585 -0.734 . . . . 1.78 111.102 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -106.93 156.39 18.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.082 -0.508 . . . . 1.16 110.6 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 84.69 7.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.44 0.638 . . . . 2.49 111.464 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mm -82.12 122.69 37.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.653 -0.703 . . . . 0.66 110.118 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 2.8 t -103.94 125.06 58.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.958 -0.386 . . . . 0.37 109.958 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.768 ' HA ' ' O ' ' A' ' 50' ' ' THR . 18.7 m -115.34 110.18 19.0 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.193 -0.458 . . . . 0.33 111.189 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.31 110.63 23.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.967 0.413 . . . . 1.39 110.243 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.59 126.75 65.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.58 -0.737 . . . . 0.22 111.047 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.595 HG12 ' OG1' ' A' ' 48' ' ' THR . 7.1 p -113.92 136.99 48.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.48 -0.563 . . . . 0.95 109.48 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -85.28 112.54 20.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.281 0.563 . . . . 2.06 111.455 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -125.92 74.08 1.4 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.611 -0.722 . . . . 1.73 109.915 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.34 -102.89 1.0 Allowed Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.448 -1.061 . . . . 0.4 110.448 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.79 9.76 11.44 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.053 -0.721 . . . . 0.43 109.053 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 39.1 t70 -103.45 109.09 20.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.604 -1.18 . . . . 1.36 109.448 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.38 130.48 54.19 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.003 0.43 . . . . 1.0 110.449 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.595 ' OG1' HG12 ' A' ' 41' ' ' VAL . 77.9 p -91.48 121.0 32.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.197 -0.456 . . . . 0.56 110.803 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.568 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -100.47 100.45 11.21 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.303 -0.999 . . . . 0.42 108.303 178.571 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.768 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.8 m -106.78 117.82 35.06 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.937 -0.574 . . . . 0.35 110.596 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -112.06 119.04 37.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.968 0.414 . . . . 1.62 110.634 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -102.17 127.7 48.98 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.894 -0.594 . . . . 0.37 110.582 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.5 t80 -101.6 125.83 36.15 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.45 -0.795 . . . . 1.23 110.313 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.1 Cg_endo -61.7 115.38 2.75 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.742 2.295 . . . . 0.46 112.032 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.0 18.1 64.14 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.716 -0.674 . . . . 0.46 112.851 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.13 -169.66 11.95 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.643 -0.789 . . . . 0.41 112.882 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.46 142.13 46.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.952 0.406 . . . . 3.34 111.798 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 t -88.54 157.03 18.75 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.554 -0.535 . . . . 0.39 109.554 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.4 m -140.0 118.8 12.45 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.43 -0.35 . . . . 0.49 110.12 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 m -127.07 128.72 46.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.02 0.438 . . . . 0.31 111.751 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.568 ' ND2' ' HB3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -139.01 115.73 10.71 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.569 -0.741 . . . . 1.72 109.565 177.556 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.1 m -98.06 146.9 25.08 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.241 -0.89 . . . . 1.04 109.784 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.437 ' CD1' ' H5 ' ' A' ' 201' ' ' CHO . 51.5 p90 -146.61 148.85 32.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.192 0.52 . . . . 0.88 112.228 -177.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.459 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 39.9 m -113.53 129.26 56.59 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.421 -0.808 . . . . 0.25 109.588 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.436 HG23 ' HA ' ' A' ' 84' ' ' LYS . 50.5 mm -55.75 125.25 10.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.648 -0.251 . . . . 0.24 110.908 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t0 76.24 22.19 1.36 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 124.188 0.93 . . . . 1.1 110.455 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.479 ' HE3' ' O ' ' A' ' 68' ' ' GLU . 38.2 tptt -138.1 141.58 40.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.579 -0.737 . . . . 1.59 110.152 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -70.56 134.37 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.767 -0.827 . . . . 2.55 108.767 177.898 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.82 152.99 46.22 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.555 0.576 . . . . 0.31 112.555 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.26 118.33 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.235 -0.893 . . . . 1.95 109.619 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 6.6 mtt -122.82 168.73 11.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.213 0.53 . . . . 0.26 112.019 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 16.8 tt0 -155.94 142.58 18.71 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.373 -0.973 . . . . 1.47 108.373 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.659 HG23 ' HE1' ' A' ' 79' ' ' PHE . 21.9 p -97.84 170.75 8.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.912 -0.403 . . . . 0.36 109.912 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.774 ' CB ' ' H17' ' A' ' 200' ' ' CHO . 44.9 mtt -73.55 -14.39 61.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.335 -0.393 . . . . 1.05 110.075 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.411 ' N ' H161 ' A' ' 200' ' ' CHO . . . -80.02 -19.71 69.34 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.795 -0.639 . . . . 0.48 111.615 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.65 38.86 2.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.107 -0.568 . . . . 0.48 112.598 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.559 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.9 mtp180 -103.51 127.32 50.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.785 -0.244 . . . . 0.85 110.894 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -101.29 122.89 44.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.965 -0.754 . . . . 1.76 108.965 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.721 ' HZ ' H181 ' A' ' 201' ' ' CHO . 53.4 p90 -161.67 172.3 16.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 1.17 112.274 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -139.45 138.47 36.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.162 -0.926 . . . . 2.55 109.682 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.79 162.78 37.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.048 -0.523 . . . . 0.24 111.244 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.2 138.86 33.2 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.262 -0.427 . . . . 0.33 109.955 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.75 140.02 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 116.185 -0.461 . . . . 0.19 109.934 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HA ' HG23 ' A' ' 65' ' ' ILE . 39.3 pttt -134.68 178.47 6.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.662 -0.496 . . . . 1.14 109.662 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 mtt -128.45 135.39 49.41 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.624 0.249 . . . . 0.41 110.906 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -130.69 103.42 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.237 -0.438 . . . . 2.67 110.585 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.52 42.95 99.65 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.056 -0.592 . . . . 0.46 112.954 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.47 19.6 76.05 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.072 -0.585 . . . . 0.36 112.985 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -123.53 126.91 47.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.518 -0.549 . . . . 1.76 109.518 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 mt -81.53 114.78 23.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.506 -0.553 . . . . 0.22 109.506 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.405 HG13 ' HG3' ' A' ' 84' ' ' LYS . 5.5 p -116.06 136.13 53.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.231 0.539 . . . . 0.25 111.547 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.701 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -118.14 147.92 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.721 -0.672 . . . . 0.25 110.452 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -106.69 123.31 47.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.989 0.424 . . . . 1.19 111.326 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.44 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 68.0 m-85 -142.7 152.92 60.73 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.78 -0.645 . . . . 1.27 110.792 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.73 113.99 3.38 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.32 2.013 . . . . 0.36 111.442 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 63.08 20.24 12.16 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.954 -0.566 . . . . 1.5 110.695 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.753 ' CE1' H213 ' A' ' 201' ' ' CHO . 6.5 t80 -142.65 128.57 19.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.12 0.486 . . . . 1.31 109.936 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.55 ' O ' ' HA ' ' A' ' 112' ' ' SER . 8.3 t60 -125.84 114.5 18.65 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.408 -0.59 . . . . 1.09 109.408 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 8.7 t60 -116.39 119.7 36.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.868 0.366 . . . . 0.67 111.27 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.9 p -125.94 131.34 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.31 110.015 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.32 140.86 49.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.332 -0.394 . . . . 0.26 110.374 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -160.79 171.7 18.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.919 0.39 . . . . 1.38 110.881 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.0 mm -112.17 116.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.783 -0.644 . . . . 0.37 110.219 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 p -112.45 96.48 6.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.458 -0.337 . . . . 1.37 110.753 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.5 32.99 64.23 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.939 -0.648 . . . . 0.96 112.562 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.3 12.27 70.64 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.401 -0.904 . . . . 0.5 112.763 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -122.31 139.24 54.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.858 0.361 . . . . 1.22 110.481 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.0 tm? -84.66 124.91 32.01 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.856 -0.611 . . . . 0.82 109.49 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -129.56 122.24 54.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 116.06 -0.518 . . . . 0.33 110.199 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.408 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 31.6 mt-10 -108.57 129.94 55.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.584 -0.735 . . . . 1.69 110.197 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 5.0 mp -111.73 132.41 60.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.919 -0.582 . . . . 0.37 109.479 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.55 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.3 m -130.17 108.4 10.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.149 -0.478 . . . . 0.37 110.676 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.611 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -90.74 130.78 36.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.39 -0.368 . . . . 0.27 111.089 179.475 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.5 p -134.87 103.65 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.223 -0.444 . . . . 1.43 110.809 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.7 m 56.33 25.17 9.1 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.994 -0.548 . . . . 0.63 112.265 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 118.19 -32.5 5.24 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.649 -0.786 . . . . 0.46 112.89 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.59 119.93 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 117.048 0.424 . . . . 0.53 110.747 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.611 HG22 HG23 ' A' ' 113' ' ' THR . 72.8 t -96.39 107.15 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.988 -0.551 . . . . 0.97 110.786 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' A' ' 111' ' ' ILE . 46.1 t80 -90.79 142.83 27.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.761 -0.654 . . . . 1.22 109.893 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 1.9 mttt -137.1 142.48 42.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.799 0.333 . . . . 1.17 110.898 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.408 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -143.97 121.84 12.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.527 -0.545 . . . . 2.48 109.527 177.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 23.9 m -104.52 132.23 51.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.069 -0.514 . . . . 0.43 111.257 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.4 m -124.89 136.94 54.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.837 -0.619 . . . . 0.38 109.726 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 5.9 pttm -79.23 155.61 28.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.414 -0.357 . . . . 1.45 110.238 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.517 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -100.22 121.21 41.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 1.45 110.717 -179.781 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.72 167.59 17.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.442 -0.799 . . . . 0.35 109.06 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.19 -0.91 . . . . 1.27 109.558 178.059 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 0.852 H121 H212 ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 0.834 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.841 0.353 . . . . 1.11 110.695 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -79.7 -21.7 44.3 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.293 -0.412 . . . . 1.24 110.504 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 141.54 55.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.139 0.495 . . . . 0.26 111.906 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.22 167.99 12.34 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.147 -1.025 . . . . 0.21 111.947 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.4 OUTLIER -94.47 144.02 25.92 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.344 -0.984 . . . . 1.54 108.344 178.281 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.578 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 94.7 m-85 -126.36 138.02 53.52 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.473 -0.331 . . . . 1.29 110.309 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -126.35 146.26 50.12 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.979 -0.555 . . . . 1.41 110.055 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -45.59 130.19 8.86 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.267 0.979 . . . . 1.86 112.251 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -127.41 -46.52 1.47 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.222 -0.899 . . . . 1.46 109.484 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -156.01 166.09 34.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 1.01 110.474 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 121' ' ' ARG . 4.7 p-10 -148.47 163.45 37.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.277 -0.638 . . . . 1.72 109.277 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -152.93 135.25 15.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.148 0.499 . . . . 1.44 110.531 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 60.3 31.2 20.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.698 -1.137 . . . . 0.84 112.046 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -63.74 -56.47 15.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.831 0.348 . . . . 1.39 111.179 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.459 ' HA ' HG22 ' A' ' 18' ' ' VAL . 3.1 m-20 -61.47 -37.17 82.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.165 -0.47 . . . . 1.3 111.288 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -36.91 84.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.117 -0.492 . . . . 1.46 110.697 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.51 ' O ' HG12 ' A' ' 21' ' ' ILE . 40.8 t80 -69.35 -52.42 27.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.517 -0.765 . . . . 1.24 110.939 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 15' ' ' ASP . 34.2 m -61.04 -37.41 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.882 -0.599 . . . . 0.26 111.454 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -72.73 -23.73 60.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.864 0.364 . . . . 1.18 110.823 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -80.59 -47.91 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.88 111.078 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 17' ' ' PHE . 30.2 pt -73.34 -16.7 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.457 -0.338 . . . . 0.39 111.837 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.71 30.56 23.59 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.645 -0.788 . . . . 0.39 112.697 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.724 HD23 HG12 ' A' ' 28' ' ' ILE . 16.9 tp -61.82 136.08 94.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.206 -0.294 . . . . 0.31 110.206 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' A' ' 23' ' ' LEU . 33.3 Cg_endo -65.25 140.69 65.61 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.498 2.132 . . . . 0.37 111.804 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.74 -35.76 66.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.118 -0.492 . . . . 0.39 111.346 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -40.91 76.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.538 -0.755 . . . . 2.03 110.955 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HB3' H181 ' A' ' 200' ' ' CHO . 74.9 mmtt -88.95 -33.7 17.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.94 110.885 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.724 HG12 HD23 ' A' ' 23' ' ' LEU . 46.3 mt -55.52 -55.33 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 N-CA-C 109.814 -0.439 . . . . 0.37 109.814 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 5.4 mm-40 -62.6 -36.14 81.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.396 -0.82 . . . . 1.73 110.745 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.416 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 7.7 tpt -64.05 -36.38 83.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.511 -0.768 . . . . 0.97 111.201 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.95 30.37 7.46 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.615 -0.802 . . . . 0.51 113.711 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' HD2' ' OE1' ' A' ' 29' ' ' GLU . 5.2 mtt180 -90.3 105.29 17.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.491 0.646 . . . . 2.27 111.777 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.42 24.74 11.97 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.337 -0.847 . . . . 1.78 112.217 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.0 m -80.45 145.65 31.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.18 -0.464 . . . . 1.16 109.999 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 7.3 ptpt -75.83 93.28 3.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.808 0.67 . . . . 2.49 112.808 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 mm -87.24 129.81 38.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.848 -0.615 . . . . 0.66 110.087 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 51' ' ' GLN . 4.4 t -102.31 134.78 42.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.567 -0.531 . . . . 0.37 109.567 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.527 HG23 ' OE1' ' A' ' 51' ' ' GLN . 38.1 m -119.86 108.3 14.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.372 -0.376 . . . . 0.33 110.348 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 27.6 mt-10 -97.49 115.78 28.45 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.124 -0.324 . . . . 1.39 110.124 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 48' ' ' THR . 54.5 t -111.72 129.28 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.888 -0.596 . . . . 0.22 112.033 -178.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.4 t -118.9 133.36 66.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.264 -1.013 . . . . 0.95 108.264 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.79 119.46 39.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.755 0.65 . . . . 2.06 112.755 -177.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -134.35 74.92 1.56 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.57 1.176 . . . . 1.73 109.394 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.58 -109.47 3.41 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 114.687 -1.142 . . . . 0.4 111.448 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.85 13.61 17.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.05 0.452 . . . . 0.43 109.889 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -108.72 111.73 23.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.481 -0.781 . . . . 1.36 109.73 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -108.81 138.01 45.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.574 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 17.2 p -101.36 139.99 36.27 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.267 -0.424 . . . . 0.56 110.651 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.494 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -121.38 100.24 6.92 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.682 -0.859 . . . . 0.42 108.682 178.886 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 8.3 m -103.99 108.97 20.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.943 -0.572 . . . . 0.35 110.566 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.527 ' OE1' HG23 ' A' ' 38' ' ' THR . 7.1 mm100 -99.35 119.19 37.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.944 -0.571 . . . . 1.62 111.176 -178.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.472 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 97.1 m-70 -106.86 120.95 43.39 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.939 -0.573 . . . . 0.37 110.571 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 4.0 t80 -90.01 129.94 44.26 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 114.905 -1.043 . . . . 1.23 109.712 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.586 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 14.7 Cg_endo -58.54 114.73 2.11 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.208 1.939 . . . . 0.46 111.928 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.39 27.04 67.11 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.897 -0.592 . . . . 0.46 111.806 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.97 -167.67 11.18 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.429 -0.891 . . . . 0.41 112.499 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.417 HH12 HG23 ' A' ' 59' ' ' THR . 0.2 OUTLIER -77.75 146.85 35.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 122.449 0.3 . . . . 3.34 111.007 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 t -98.08 160.23 14.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.678 0.275 . . . . 0.39 110.356 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.417 HG23 HH12 ' A' ' 57' ' ' ARG . 1.0 OUTLIER -140.8 111.86 7.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.483 -0.326 . . . . 0.49 110.821 -179.114 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.418 HG23 ' OG1' ' A' ' 50' ' ' THR . 3.0 m -105.75 129.95 53.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.947 0.403 . . . . 0.31 111.52 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -125.66 147.22 49.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.322 -0.621 . . . . 1.72 109.322 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.1 p -130.54 126.48 36.9 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.94 -0.763 . . . . 1.04 108.94 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.478 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 51.8 p90 -136.25 147.51 47.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.482 0.658 . . . . 0.88 112.151 -178.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.489 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 96.9 m -115.71 130.65 56.93 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.321 -0.854 . . . . 0.25 108.972 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.45 HG23 ' HA ' ' A' ' 84' ' ' LYS . 47.4 mm -55.45 127.78 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.044 0.449 . . . . 0.24 111.78 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t70 70.38 24.64 4.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.229 -0.896 . . . . 1.1 109.639 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 18.4 tptm -137.39 142.4 41.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.985 -1.007 . . . . 1.59 110.085 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.3 140.94 52.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.035 -0.728 . . . . 2.55 109.035 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.67 161.8 30.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.498 0.555 . . . . 0.31 112.498 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -96.38 114.03 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.933 -1.03 . . . . 1.95 108.369 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.59 ' SD ' H191 ' A' ' 201' ' ' CHO . 12.2 mtt -119.39 165.78 13.89 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.538 0.685 . . . . 0.26 111.849 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.712 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.6 tt0 -157.21 139.26 14.42 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.625 -1.17 . . . . 1.47 109.057 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.935 HG22 H162 ' A' ' 201' ' ' CHO . 18.9 p -95.8 166.1 11.97 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.854 -0.424 . . . . 0.36 109.854 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 61.5 mtm -74.2 -1.69 21.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.235 0.541 . . . . 1.05 109.886 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.728 ' CA ' H161 ' A' ' 200' ' ' CHO . . . -90.08 -12.59 61.65 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.869 -0.892 . . . . 0.48 110.869 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.95 35.89 4.39 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.115 -0.564 . . . . 0.48 112.715 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.712 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 20.1 mtp85 -111.93 117.85 33.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.692 0.246 . . . . 0.85 110.985 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.18 122.99 45.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.25 -1.018 . . . . 1.76 108.25 178.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.859 ' HZ ' H181 ' A' ' 201' ' ' CHO . 36.7 p90 -150.72 176.12 11.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.936 0.398 . . . . 1.17 111.675 -177.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.23 133.73 47.67 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.726 -0.67 . . . . 2.55 109.236 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.73 161.45 41.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.25 -0.432 . . . . 0.24 110.381 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.55 140.63 30.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.664 0.269 . . . . 0.33 110.443 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.72 137.57 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.638 -0.505 . . . . 0.19 109.638 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' HA ' HG23 ' A' ' 65' ' ' ILE . 33.3 pttt -134.79 -178.06 4.91 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.803 -0.443 . . . . 1.14 109.803 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.2 mtt -129.2 138.36 51.68 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.154 -0.218 . . . . 0.41 110.708 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.438 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 0.9 OUTLIER -120.98 76.71 1.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.197 0.523 . . . . 2.67 111.275 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.81 49.06 9.22 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.701 -0.761 . . . . 0.46 113.294 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.4 5.94 88.16 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.927 -0.654 . . . . 0.36 112.871 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -118.3 125.06 49.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.963 -0.754 . . . . 1.76 108.963 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.8 mt -79.7 120.97 32.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.796 -0.362 . . . . 0.22 110.733 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.445 HG13 ' HG3' ' A' ' 84' ' ' LYS . 6.6 p -120.4 131.67 72.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.225 0.536 . . . . 0.25 110.357 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.753 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -106.4 149.49 26.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.041 -0.527 . . . . 0.25 111.097 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -99.47 120.25 39.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 1.19 111.004 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.497 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 78.5 m-85 -148.68 151.05 34.85 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.297 -0.41 . . . . 1.27 110.467 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.94 116.11 4.6 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.574 2.182 . . . . 0.36 111.489 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 114' ' ' SER . 65.5 t30 64.46 20.5 12.18 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.508 0.67 . . . . 1.5 110.037 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.6 ' CE1' H213 ' A' ' 201' ' ' CHO . 2.1 t80 -143.61 119.23 10.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.705 -0.68 . . . . 1.31 110.748 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' SER . 17.0 t60 -118.57 103.82 10.08 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.663 -0.865 . . . . 1.09 108.663 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -109.77 120.2 41.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.626 -0.261 . . . . 0.67 110.939 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.0 p -126.39 150.69 48.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.897 -0.592 . . . . 0.31 111.199 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.12 135.31 46.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.731 -0.668 . . . . 0.26 109.976 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -154.12 173.58 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.02 0.438 . . . . 1.38 110.73 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 mm -110.17 124.54 67.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.503 -0.771 . . . . 0.37 109.596 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.2 m -133.5 102.83 5.66 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.038 -0.528 . . . . 1.37 109.949 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.35 36.66 49.51 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.747 -0.661 . . . . 0.96 111.982 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.72 20.01 77.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.84 -0.695 . . . . 0.5 111.592 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -127.45 149.32 50.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.9 0.381 . . . . 1.22 110.682 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.9 tm? -90.9 120.85 32.25 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.733 -0.667 . . . . 0.82 109.242 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.4 p -123.13 113.92 39.87 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.449 0.642 . . . . 0.33 110.145 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' HG3' HD11 ' A' ' 108' ' ' LEU . 31.3 mt-10 -98.29 136.34 38.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.567 -0.742 . . . . 1.69 109.885 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.58 123.41 71.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.836 -0.62 . . . . 0.37 109.602 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.4 m -123.68 122.73 38.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.153 -0.476 . . . . 0.37 109.731 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -113.06 136.62 52.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.557 -0.292 . . . . 0.27 111.771 -179.594 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 50.3 m -149.88 112.36 4.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.913 -0.585 . . . . 1.43 110.503 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 57.8 m 57.7 39.68 27.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.398 -0.819 . . . . 0.63 112.228 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.43 -29.0 10.94 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.876 -0.678 . . . . 0.46 114.309 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.1 t -77.25 125.6 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.542 0.671 . . . . 0.53 111.283 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.571 HG22 HG23 ' A' ' 113' ' ' THR . 47.2 t -103.89 111.01 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.684 -0.689 . . . . 0.97 110.597 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.474 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 5.0 t80 -100.36 131.86 46.05 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.624 -0.716 . . . . 1.22 109.553 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 110' ' ' GLU . 29.6 mtpt -130.34 150.7 51.45 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 120.914 0.388 . . . . 1.17 111.125 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.63 ' NH1' ' H22' ' A' ' 200' ' ' CHO . 15.5 ptt-85 -145.33 131.21 19.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.107 -0.497 . . . . 2.48 110.163 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.6 m -104.24 125.29 50.39 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.704 -0.68 . . . . 0.43 110.698 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.9 m -123.89 137.38 54.65 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.894 -0.41 . . . . 0.38 109.894 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 12.7 pttm -80.61 159.0 25.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.404 -0.362 . . . . 1.45 111.208 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.511 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -99.02 121.48 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.077 0.465 . . . . 1.45 110.12 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.552 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -141.75 168.23 15.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.581 -0.736 . . . . 0.35 109.548 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.373 -0.822 . . . . 1.27 109.732 178.696 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 1.089 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 1.089 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.264 0.078 . . . . 1.11 111.001 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -75.76 -30.04 59.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.744 -0.207 . . . . 1.24 111.435 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.26 142.92 50.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.147 0.498 . . . . 0.26 112.336 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.522 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 128.28 174.3 13.7 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.756 -0.735 . . . . 0.21 112.294 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.06 145.05 25.79 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.919 -0.771 . . . . 1.54 108.919 178.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 98.1 m-85 -127.28 145.54 50.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.699 0.285 . . . . 1.29 110.358 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -134.8 156.13 49.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.793 -0.64 . . . . 1.41 109.515 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -49.04 129.38 17.54 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.7 0.625 . . . . 1.86 111.392 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 122' ' ' THR . 8.8 tp10 -126.6 -56.06 1.4 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.75 -0.659 . . . . 1.46 110.03 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.3 m -148.24 164.41 34.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.398 -0.819 . . . . 1.01 109.738 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.584 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 12.7 t70 -153.86 156.01 36.81 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.424 -0.584 . . . . 1.72 109.424 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 60.8 tt0 -151.48 134.52 15.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.205 0.526 . . . . 1.44 111.531 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 60.69 41.66 14.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.797 -1.092 . . . . 0.84 111.987 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.584 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 18.2 t80 -69.55 -59.0 3.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.465 -0.334 . . . . 1.39 111.467 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.476 ' HA ' HG22 ' A' ' 18' ' ' VAL . 5.1 m-20 -57.92 -46.27 85.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.3 111.463 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.92 -42.34 75.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.288 0.566 . . . . 1.46 110.927 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -66.17 -56.66 10.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.124 -0.944 . . . . 1.24 111.378 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.3 m -60.8 -34.36 58.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.709 -0.678 . . . . 0.26 112.424 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -71.27 -27.57 63.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.679 0.276 . . . . 1.18 111.024 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.21 -39.57 25.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 0.88 111.861 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 pt -79.97 -6.06 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.042 0.449 . . . . 0.39 111.388 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.63 35.91 34.94 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.995 -0.621 . . . . 0.39 113.484 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.712 HD23 HG12 ' A' ' 28' ' ' ILE . 22.7 tp -70.91 132.81 86.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.228 -0.656 . . . . 0.31 109.228 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HD2' HD12 ' A' ' 23' ' ' LEU . 29.6 Cg_endo -65.34 138.75 56.83 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.974 1.783 . . . . 0.37 111.194 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . . . -55.3 -32.47 62.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.112 -0.495 . . . . 0.39 111.377 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -41.85 78.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.442 -0.799 . . . . 2.03 110.442 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HB3' H181 ' A' ' 200' ' ' CHO . 69.3 mmtt -88.41 -30.82 19.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.94 110.408 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.712 HG12 HD23 ' A' ' 23' ' ' LEU . 55.9 mt -59.55 -58.14 8.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 0.37 110.208 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.495 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 45.4 mm-40 -66.7 -18.34 65.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.796 -0.638 . . . . 1.73 110.714 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.431 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.8 tpt -85.04 -29.59 24.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.758 -0.655 . . . . 0.97 111.246 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.704 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -111.99 23.53 16.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.369 -0.919 . . . . 0.51 113.758 -178.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.6 ptp180 -105.28 127.6 53.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.02 0.41 . . . . 2.27 110.485 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.33 23.49 11.95 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.563 -0.744 . . . . 1.78 111.548 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.8 m -90.05 153.58 20.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.131 -0.486 . . . . 1.16 109.985 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -85.33 93.59 8.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.352 0.596 . . . . 2.49 112.106 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.92 122.37 51.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.682 -0.69 . . . . 0.66 109.62 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.4 t -94.39 126.68 46.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.294 -0.412 . . . . 0.37 110.952 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.689 ' HA ' ' O ' ' A' ' 50' ' ' THR . 28.5 m -110.58 107.31 16.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.351 -0.386 . . . . 0.33 110.129 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -96.33 110.92 23.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.191 -0.3 . . . . 1.39 110.191 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' A' ' 48' ' ' THR . 69.6 t -103.75 124.74 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.023 -0.535 . . . . 0.22 111.959 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.532 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 94.2 t -111.27 127.13 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.611 -0.885 . . . . 0.95 108.611 178.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -95.78 135.29 37.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.249 0.547 . . . . 2.06 112.082 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -152.0 86.83 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.218 -0.901 . . . . 1.73 109.577 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.6 -96.9 0.45 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.979 -0.629 . . . . 0.4 111.979 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.3 8.72 10.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.513 -0.551 . . . . 0.43 109.513 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -101.97 120.46 40.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.505 -0.77 . . . . 1.36 110.783 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -120.67 127.42 52.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.629 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.532 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -94.54 126.39 39.79 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.106 -0.497 . . . . 0.56 111.742 -179.667 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.565 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.5 OUTLIER -103.96 101.16 10.94 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.292 -1.003 . . . . 0.42 108.292 178.246 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.689 ' O ' ' HA ' ' A' ' 38' ' ' THR . 7.3 m -109.74 110.22 21.16 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.19 -0.459 . . . . 0.35 110.4 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -104.31 117.76 34.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.302 0.572 . . . . 1.62 110.876 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -101.24 131.31 47.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.424 -0.807 . . . . 0.37 110.759 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.432 ' CZ ' H211 ' A' ' 200' ' ' CHO . 5.7 t80 -107.59 132.94 20.62 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-N 116.043 -0.526 . . . . 1.23 109.729 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 37.8 Cg_endo -65.15 111.96 1.93 Allowed 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 121.829 1.686 . . . . 0.46 111.597 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.59 24.28 70.98 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 115.925 -0.58 . . . . 0.46 113.631 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.52 -166.76 10.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.326 -0.94 . . . . 0.41 112.789 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 150.32 49.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.534 0.207 . . . . 3.34 110.977 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.5 t -108.78 149.23 29.36 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.243 -0.651 . . . . 0.39 109.243 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.8 m -127.34 111.73 14.22 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.981 0.419 . . . . 0.49 109.903 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -119.93 115.23 23.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.161 -0.472 . . . . 0.31 111.448 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -122.96 131.02 53.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.408 0.623 . . . . 1.72 110.355 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -109.17 123.78 49.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.236 -0.893 . . . . 1.04 109.66 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 50.8 p90 -131.96 149.72 52.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.276 0.56 . . . . 0.88 111.743 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.436 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 36.5 m -120.52 130.55 54.3 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.484 -0.78 . . . . 0.25 108.902 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.9 mm -55.1 126.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.597 -0.274 . . . . 0.24 111.143 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t70 74.02 23.02 2.26 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.294 0.997 . . . . 1.1 110.121 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 32.3 tptt -137.74 140.07 40.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.229 -0.896 . . . . 1.59 110.339 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -69.25 140.91 54.51 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.436 -0.579 . . . . 2.55 109.436 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -133.34 150.57 51.85 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.331 0.493 . . . . 0.31 112.331 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -83.99 120.07 25.67 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.223 -1.028 . . . . 1.95 108.223 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.506 ' SD ' ' C19' ' A' ' 201' ' ' CHO . 15.5 mtt -121.53 170.68 9.44 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.512 0.672 . . . . 0.26 112.014 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.654 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 6.4 tt0 -160.31 145.51 14.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.614 -1.175 . . . . 1.47 108.705 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.551 HG22 H162 ' A' ' 201' ' ' CHO . 26.7 p -89.58 -178.46 5.56 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.723 -0.391 . . . . 0.36 110.136 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.781 ' HB2' ' H14' ' A' ' 200' ' ' CHO . 43.7 mtt -82.19 -11.36 58.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.929 -0.767 . . . . 1.05 108.929 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.59 -15.6 58.1 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.39 -0.823 . . . . 0.48 111.417 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.67 61.0 0.92 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.023 -0.608 . . . . 0.48 112.753 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.654 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 15.4 mtp180 -122.67 124.95 44.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.297 -0.261 . . . . 0.85 110.297 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -93.69 122.85 36.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.866 0.365 . . . . 1.76 110.845 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.776 ' HZ ' H181 ' A' ' 201' ' ' CHO . 47.3 p90 -160.28 168.53 25.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 1.17 110.498 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -132.37 144.49 50.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.211 -0.449 . . . . 2.55 109.837 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.496 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -148.0 162.32 39.57 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.301 -0.409 . . . . 0.24 110.775 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.68 133.05 46.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.157 -0.683 . . . . 0.33 109.157 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.7 t -114.63 141.13 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 110.22 -0.289 . . . . 0.19 110.22 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.483 ' CG ' HG13 ' A' ' 91' ' ' VAL . 11.3 pttt -130.71 -179.53 5.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.856 -0.424 . . . . 1.14 109.856 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.465 ' HE2' HG12 ' A' ' 90' ' ' ILE . 1.7 mtt -135.33 133.32 38.68 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.132 -0.227 . . . . 0.41 110.552 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -131.03 108.17 9.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.985 0.421 . . . . 2.67 110.28 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.91 88.51 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.037 -0.601 . . . . 0.46 112.849 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.54 17.4 66.29 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.51 -0.852 . . . . 0.36 112.485 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 85' ' ' MET . 69.1 mttt -116.52 126.44 53.34 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.972 -0.381 . . . . 1.76 109.972 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.465 HG12 ' HE2' ' A' ' 85' ' ' MET . 2.2 mt -82.36 109.46 16.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.86 0.362 . . . . 0.22 110.225 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.483 HG13 ' CG ' ' A' ' 84' ' ' LYS . 1.5 p -111.43 130.05 65.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.976 -0.556 . . . . 0.25 111.477 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.737 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -107.94 142.39 38.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 0.25 110.78 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -99.78 120.47 39.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.284 0.564 . . . . 1.19 111.835 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.45 ' CE2' H111 ' A' ' 201' ' ' CHO . 81.1 m-85 -143.27 154.4 60.78 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.42 -0.809 . . . . 1.27 110.264 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -72.39 114.26 3.95 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.243 1.962 . . . . 0.36 111.638 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.554 ' O ' ' HA ' ' A' ' 114' ' ' SER . 66.9 t30 70.93 -0.44 3.04 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.307 0.643 . . . . 1.5 111.45 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.747 ' CZ ' H213 ' A' ' 201' ' ' CHO . 4.0 t80 -122.55 127.57 49.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.164 -0.471 . . . . 1.31 109.786 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.497 ' O ' ' HA ' ' A' ' 112' ' ' SER . 40.8 t60 -124.55 113.52 18.19 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.061 -0.718 . . . . 1.09 109.061 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -115.25 115.45 26.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.693 0.283 . . . . 0.67 111.307 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.456 HG22 ' HB ' ' A' ' 91' ' ' VAL . 14.4 p -123.02 128.92 50.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.127 -0.488 . . . . 0.31 110.511 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.81 137.89 51.66 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.127 -0.323 . . . . 0.26 110.127 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' O ' HD22 ' A' ' 108' ' ' LEU . 13.1 pt-20 -155.4 179.26 9.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.897 0.38 . . . . 1.38 111.294 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 45.3 mm -116.53 110.96 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 115.692 -0.686 . . . . 0.37 109.753 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 m -119.81 113.22 20.28 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.139 -0.482 . . . . 1.37 110.068 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.37 71.26 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.83 -0.7 . . . . 0.96 111.599 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.9 21.08 75.07 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.903 -0.665 . . . . 0.5 111.533 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -129.48 142.83 50.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 1.22 111.204 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.2 tm? -81.99 121.99 27.22 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.79 -0.819 . . . . 0.82 108.79 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -126.76 118.56 51.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-O 121.139 0.495 . . . . 0.33 110.14 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -101.95 133.2 47.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.645 -0.707 . . . . 1.69 109.805 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.1 mp -115.0 124.11 71.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 108.597 -0.89 . . . . 0.37 108.597 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 2.5 m -121.86 114.0 20.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.103 -0.499 . . . . 0.37 110.576 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.657 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -101.07 132.25 46.59 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.19 -0.459 . . . . 0.27 110.455 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 49.2 m -145.76 114.25 6.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.269 -0.423 . . . . 1.43 109.914 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.9 m 60.98 27.71 17.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.981 -0.554 . . . . 0.63 111.307 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.47 -14.77 64.47 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.978 -0.63 . . . . 0.46 112.432 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 113' ' ' THR . 47.1 t -80.54 122.65 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.928 -0.397 . . . . 0.53 109.928 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.657 HG22 HG23 ' A' ' 113' ' ' THR . 38.7 t -100.01 119.41 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.038 0.447 . . . . 0.97 110.94 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -106.46 130.08 54.32 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.493 -0.776 . . . . 1.22 109.419 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 54.8 mttt -123.08 142.6 50.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.034 0.445 . . . . 1.17 111.182 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 1.3 ptp180 -143.77 133.58 23.88 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.045 -0.525 . . . . 2.48 109.952 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 1.8 m -112.31 130.11 56.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.141 -0.481 . . . . 0.43 110.543 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.5 m -125.26 133.13 52.78 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.754 -0.657 . . . . 0.38 110.029 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 7.5 pttm -80.64 154.33 27.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.388 -0.369 . . . . 1.45 110.325 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.522 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -100.69 119.29 38.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.197 -0.456 . . . . 1.45 110.219 -179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.79 165.28 30.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.172 -0.467 . . . . 0.35 109.842 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.191 -0.909 . . . . 1.27 109.814 179.647 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' CHO . . . . . 1.129 ' C7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' CHO . . . . . 1.129 H262 ' C7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.743 0.306 . . . . 1.24 110.814 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.547 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 2.0 m -58.12 127.84 34.13 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.97 0.414 . . . . 0.26 111.981 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.47 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 139.59 174.98 13.92 Favored Glycine 0 N--CA 1.438 -1.183 0 C-N-CA 120.401 -0.904 . . . . 0.21 112.333 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 141.27 28.66 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.199 -0.667 . . . . 1.54 109.199 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.554 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 66.1 m-85 -123.4 139.96 53.49 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.375 -0.375 . . . . 1.29 110.124 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HB2' HD11 ' A' ' 126' ' ' ILE . 29.5 mt-10 -127.65 143.79 51.13 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 110.03 -0.359 . . . . 1.41 110.03 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -49.52 124.53 9.58 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.925 0.765 . . . . 1.86 111.754 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.51 -51.65 2.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.701 . . . . 1.46 110.71 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 m -151.09 169.93 20.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.94 -0.573 . . . . 1.01 111.051 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.523 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -158.1 163.76 37.31 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 110.014 -0.365 . . . . 1.72 110.014 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 19.3 tt0 -147.79 138.08 22.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 1.44 109.954 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 61.34 34.81 18.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.135 -0.939 . . . . 0.84 112.195 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.523 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 10.9 t80 -61.95 -59.15 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.627 0.251 . . . . 1.39 111.295 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.509 ' HA ' HG22 ' A' ' 18' ' ' VAL . 6.8 m-20 -61.7 -39.02 89.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 1.3 111.484 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -43.21 99.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.121 0.486 . . . . 1.46 110.484 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.479 ' O ' HG12 ' A' ' 21' ' ' ILE . 72.0 t80 -64.28 -53.04 55.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.468 -0.787 . . . . 1.24 110.964 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.509 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.3 m -61.22 -35.86 68.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.26 111.449 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -69.46 -28.46 66.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.692 0.282 . . . . 1.18 111.655 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HG3' ' CG2' ' A' ' 117' ' ' VAL . 18.2 mmmt -82.42 -46.52 13.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.629 0.252 . . . . 0.88 111.598 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 17' ' ' PHE . 30.4 pt -69.54 -9.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.429 . . . . 0.39 111.056 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.39 37.97 53.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.938 -0.649 . . . . 0.39 112.974 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.58 HD23 HG12 ' A' ' 28' ' ' ILE . 16.5 tp -71.53 133.73 84.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.621 -0.511 . . . . 0.31 109.621 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.552 ' HD2' HD12 ' A' ' 23' ' ' LEU . 34.3 Cg_endo -66.62 139.56 53.55 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.307 2.005 . . . . 0.37 111.603 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.22 57.29 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.97 -0.559 . . . . 0.39 111.742 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.31 -37.36 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.585 -0.734 . . . . 2.03 111.631 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -89.03 -33.02 17.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.56 -0.291 . . . . 0.94 111.207 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.58 HG12 HD23 ' A' ' 23' ' ' LEU . 71.5 mt -56.8 -62.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.839 -0.619 . . . . 0.37 111.875 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 4.2 mm-40 -68.28 -18.63 64.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 1.73 111.091 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.0 tpt -75.91 -42.7 48.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.796 -0.638 . . . . 0.97 109.617 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -100.27 32.23 7.56 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.659 -0.701 . . . . 0.51 113.905 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.468 ' HD2' ' OE1' ' A' ' 29' ' ' GLU . 9.3 ptm180 -123.36 141.15 52.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.765 0.782 . . . . 2.27 111.351 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.35 19.98 10.68 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.609 -0.723 . . . . 1.78 111.495 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.56 150.63 22.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.406 -0.361 . . . . 1.16 110.598 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 pttt -76.44 83.08 3.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.029 -0.532 . . . . 2.49 112.173 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.9 mm -80.73 123.86 37.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.513 . . . . 0.66 109.64 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 16.6 t -103.74 122.61 56.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 110.247 -0.279 . . . . 0.37 110.247 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.794 ' HA ' ' O ' ' A' ' 50' ' ' THR . 86.6 m -109.67 106.17 15.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.374 -0.376 . . . . 0.33 110.154 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -93.99 117.53 30.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.313 -0.403 . . . . 1.39 110.496 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -110.48 130.65 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.891 -0.595 . . . . 0.22 112.213 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.4 t -115.55 133.41 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.995 -0.548 . . . . 0.95 110.263 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.547 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 33.2 tp60 -83.08 111.9 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 2.06 110.635 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -130.72 73.9 1.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.462 -0.57 . . . . 1.73 109.462 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.75 -99.42 0.6 Allowed Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 111.026 -0.83 . . . . 0.4 111.026 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.04 6.81 10.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.308 -0.627 . . . . 0.43 109.308 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 37.2 t70 -100.1 108.35 20.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.846 -1.07 . . . . 1.36 109.513 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -103.09 128.49 49.97 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.898 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.3 p -89.4 121.29 31.5 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.179 -0.464 . . . . 0.56 111.058 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -104.24 99.92 9.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.064 -0.717 . . . . 0.42 109.064 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.794 ' O ' ' HA ' ' A' ' 38' ' ' THR . 6.0 m -104.29 121.04 42.51 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.13 -0.486 . . . . 0.35 110.697 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -109.08 117.26 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.623 -0.51 . . . . 1.62 109.623 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -102.73 133.16 48.23 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.069 0.462 . . . . 0.37 110.115 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -112.3 120.32 41.78 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.436 -0.802 . . . . 1.23 110.017 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.01 114.29 2.24 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.609 2.206 . . . . 0.46 112.598 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.08 24.66 74.6 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.46 113.094 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.66 -165.62 11.44 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.351 -0.928 . . . . 0.41 113.066 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.81 145.79 42.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.966 0.412 . . . . 3.34 111.333 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 t -101.43 161.7 13.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.844 -0.616 . . . . 0.39 110.43 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.27 131.1 21.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.31 -0.626 . . . . 0.49 109.31 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.7 m -137.05 119.14 15.43 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.022 -0.424 . . . . 0.31 110.91 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -131.53 116.72 17.81 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.012 0.435 . . . . 1.72 110.389 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.3 m -97.16 147.57 23.95 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.936 -0.764 . . . . 1.04 108.936 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' A' ' 90' ' ' ILE . 40.8 p90 -145.11 141.78 29.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.077 0.465 . . . . 0.88 111.679 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 50.5 m -106.16 124.81 50.16 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.732 -0.84 . . . . 0.25 108.732 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.05 124.17 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.575 -0.284 . . . . 0.24 111.186 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t0 78.01 22.45 0.82 Allowed 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.249 0.968 . . . . 1.1 110.259 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 34.8 tptt -137.9 144.9 41.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.405 -0.816 . . . . 1.59 110.354 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -71.55 130.28 40.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.457 -0.571 . . . . 2.55 109.457 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -120.55 148.56 43.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.034 0.445 . . . . 0.31 111.826 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.34 119.89 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.679 -1.23 . . . . 1.95 107.679 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.551 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 19.8 mtt -124.16 162.45 23.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.61 0.719 . . . . 0.26 112.874 -177.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 27.3 tt0 -151.84 144.63 24.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.648 -1.16 . . . . 1.47 108.775 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.693 HG23 ' HE1' ' A' ' 79' ' ' PHE . 32.0 p -100.98 176.01 5.41 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.846 0.355 . . . . 0.36 110.34 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 39.0 mtt -77.62 -17.52 57.7 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.292 -0.413 . . . . 1.05 110.494 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.21 -6.29 88.12 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.928 -0.654 . . . . 0.48 112.15 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.79 48.85 2.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.849 -0.691 . . . . 0.48 113.11 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.624 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.8 mtp85 -113.44 122.95 48.87 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.737 -0.273 . . . . 0.85 110.618 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -100.93 122.34 43.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.989 -0.745 . . . . 1.76 108.989 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.693 ' HE1' HG23 ' A' ' 73' ' ' THR . 48.3 p90 -162.3 175.82 11.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.2 0.524 . . . . 1.17 111.89 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.23 152.09 51.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.626 -0.715 . . . . 2.55 109.638 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -156.69 161.86 39.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.235 -0.439 . . . . 0.24 110.535 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.09 133.11 47.45 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.619 -0.512 . . . . 0.33 109.619 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.27 133.44 65.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.368 -0.378 . . . . 0.19 110.247 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -127.15 176.76 7.13 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.393 -0.595 . . . . 1.14 109.393 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 89' ' ' LYS . 2.1 mtt -125.57 132.8 52.48 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.984 -0.376 . . . . 0.41 109.984 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 4.8 pt-20 -121.11 84.84 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 2.67 111.324 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.45 41.97 28.74 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.406 -0.902 . . . . 0.46 112.758 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.87 8.23 82.83 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.36 112.878 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 24.2 mtpt -113.26 129.77 56.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.42 -0.585 . . . . 1.76 109.42 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.452 HG21 ' CE1' ' A' ' 63' ' ' PHE . 1.5 mt -84.74 114.2 24.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 110.112 -0.329 . . . . 0.22 110.112 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 p -116.81 131.49 69.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.353 0.597 . . . . 0.25 111.556 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -112.8 139.59 48.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.62 -0.718 . . . . 0.25 109.687 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -100.61 124.11 45.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.964 0.411 . . . . 1.19 111.368 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.49 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 76.6 m-85 -142.33 154.59 64.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.7 -0.682 . . . . 1.27 110.361 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -67.54 114.92 3.46 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.057 1.838 . . . . 0.36 111.668 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' A' ' 114' ' ' SER . 13.1 t-20 58.9 25.26 13.46 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.436 0.636 . . . . 1.5 110.589 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.579 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.6 t80 -146.03 122.57 11.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.361 -0.836 . . . . 1.31 109.555 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.485 ' O ' ' HA ' ' A' ' 112' ' ' SER . 19.5 t60 -125.67 114.78 19.13 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.834 -0.432 . . . . 1.09 109.834 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 8.3 t60 -112.97 124.89 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.165 0.291 . . . . 0.67 110.792 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.7 p -131.41 129.11 40.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.31 110.445 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.21 134.14 55.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.365 -0.379 . . . . 0.26 110.247 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -152.27 171.46 17.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.349 . . . . 1.38 110.733 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.9 mm -111.44 118.99 58.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.108 -0.496 . . . . 0.37 111.168 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -113.38 91.72 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.14 -0.482 . . . . 1.37 111.075 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.55 43.8 84.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.96 113.449 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.18 13.29 79.34 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.526 -0.845 . . . . 0.5 112.976 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -126.33 142.35 51.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.874 0.368 . . . . 1.22 110.318 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.54 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.8 tm? -92.53 123.47 35.86 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.593 -0.731 . . . . 0.82 109.34 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -124.8 118.5 53.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 121.368 0.604 . . . . 0.33 110.528 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -101.49 126.05 48.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.68 -0.691 . . . . 1.69 109.444 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 3.8 mp -108.86 122.74 63.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 109.458 -0.571 . . . . 0.37 109.458 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.3 m -122.95 108.94 13.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.052 -0.522 . . . . 0.37 110.61 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.807 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -94.92 131.74 40.5 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.596 -0.52 . . . . 0.27 109.596 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 5.7 t -151.8 119.34 6.05 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 120.966 0.413 . . . . 1.43 110.288 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.4 m 59.14 24.18 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.408 -0.814 . . . . 0.63 111.966 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 107.43 -28.79 11.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.46 113.391 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.566 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 67.8 t -80.31 129.83 36.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 117.173 0.486 . . . . 0.53 111.942 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.807 HG22 HG23 ' A' ' 113' ' ' THR . 87.5 t -101.58 106.93 20.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.583 -0.735 . . . . 0.97 110.121 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -93.81 128.55 40.12 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.967 -0.56 . . . . 1.22 110.281 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 51.7 mttt -122.41 144.67 48.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.353 -0.385 . . . . 1.17 110.332 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.62 116.34 9.23 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.879 -0.6 . . . . 2.48 109.729 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.1 m -96.51 125.96 41.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.808 -0.633 . . . . 0.43 110.207 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.6 m -124.66 132.9 53.38 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.18 -0.464 . . . . 0.38 109.981 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 15.6 pttm -80.22 154.17 28.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.375 -0.375 . . . . 1.45 110.819 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.554 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -97.73 118.58 34.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.139 0.495 . . . . 1.45 109.921 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.542 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -134.33 168.52 23.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 108.607 -0.886 . . . . 0.35 108.607 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.422 -0.799 . . . . 1.27 110.249 178.318 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.368 0.127 . . . . 1.24 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.97 140.07 57.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.079 0.466 . . . . 0.26 112.075 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.85 166.63 11.9 Favored Glycine 0 N--CA 1.439 -1.162 0 C-N-CA 120.772 -0.728 . . . . 0.21 111.834 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -95.48 142.75 27.46 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.79 -0.819 . . . . 1.54 108.79 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 95.0 m-85 -124.75 144.08 50.44 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 121.115 -0.234 . . . . 1.29 110.864 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' A' ' 126' ' ' ILE . 14.4 mt-10 -118.44 156.68 28.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.059 -0.518 . . . . 1.41 110.198 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -63.5 108.99 1.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.94 -0.573 . . . . 1.86 110.649 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -102.14 -49.06 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 1.46 109.68 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -157.58 158.0 34.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.482 -0.326 . . . . 1.01 110.404 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -140.43 152.09 45.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.9 -0.778 . . . . 1.72 108.9 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -139.93 139.16 36.09 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.12 0.486 . . . . 1.44 110.876 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t30 58.72 49.6 9.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.602 -1.181 . . . . 0.84 111.559 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -75.39 -57.99 3.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.128 -0.487 . . . . 1.39 112.184 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.477 ' HA ' HG22 ' A' ' 18' ' ' VAL . 8.4 m-20 -56.84 -41.89 78.68 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.216 0.45 . . . . 1.3 112.216 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -38.91 88.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.403 0.62 . . . . 1.46 110.73 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HB2' ' HB2' ' A' ' 119' ' ' TYR . 80.7 t80 -67.56 -52.78 34.66 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.336 -0.847 . . . . 1.24 110.839 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.4 m -64.34 -38.02 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.807 -0.633 . . . . 0.26 111.804 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -69.95 -28.91 65.96 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.043 -0.263 . . . . 1.18 111.049 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -75.53 -46.13 33.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.42 -0.354 . . . . 0.88 111.343 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 pt -73.02 -14.24 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.741 0.305 . . . . 0.39 111.715 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.49 33.93 26.88 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.091 -0.576 . . . . 0.39 112.308 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.62 HD23 HG12 ' A' ' 28' ' ' ILE . 21.0 tp -69.67 135.8 88.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.659 -0.497 . . . . 0.31 109.659 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.593 ' HD2' HD12 ' A' ' 23' ' ' LEU . 26.5 Cg_endo -64.62 139.11 62.21 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.125 1.883 . . . . 0.37 111.386 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.72 -37.76 59.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.076 0.465 . . . . 0.39 111.165 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.74 -38.52 69.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.25 -0.886 . . . . 2.03 111.728 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -90.17 -31.35 17.09 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 121.139 -0.224 . . . . 0.94 110.72 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.62 HG12 HD23 ' A' ' 23' ' ' LEU . 62.4 mt -57.68 -61.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.086 -0.506 . . . . 0.37 110.657 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -67.14 -24.44 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.518 -0.765 . . . . 1.73 111.339 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 tpt -74.94 -34.8 62.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.169 -0.468 . . . . 0.97 110.409 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.61 23.69 25.7 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.5 -0.857 . . . . 0.51 113.943 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -109.26 138.51 45.52 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 117.381 0.59 . . . . 2.27 110.833 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.22 25.09 10.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.676 -0.693 . . . . 1.78 111.033 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.2 m -98.49 154.52 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.927 -0.578 . . . . 1.16 110.224 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.06 88.51 7.72 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.497 0.554 . . . . 2.49 112.497 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 mp -94.46 123.49 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.245 -0.65 . . . . 0.66 109.245 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 t -92.65 140.94 15.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.622 -0.263 . . . . 0.37 110.361 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.3 m -116.9 106.79 13.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.121 -0.491 . . . . 0.33 110.023 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.455 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 9.6 mt-10 -95.54 110.58 22.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.87 0.367 . . . . 1.39 110.555 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 48' ' ' THR . 46.5 t -110.93 124.27 67.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 0.22 111.995 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG12 ' OG1' ' A' ' 48' ' ' THR . 6.8 p -117.27 136.19 55.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.199 -1.037 . . . . 0.95 108.199 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -103.28 121.17 42.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.268 0.556 . . . . 2.06 112.408 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -126.83 79.44 1.87 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.386 -0.968 . . . . 1.73 108.386 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.86 -94.52 0.98 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.84 -0.904 . . . . 0.4 110.84 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.2 6.6 9.13 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.646 -0.501 . . . . 0.43 109.646 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 34.2 t70 -96.92 109.69 22.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.401 -0.818 . . . . 1.36 109.741 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -108.23 142.38 38.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.126 -0.694 . . . . 1.0 109.126 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.481 ' OG1' HG12 ' A' ' 41' ' ' VAL . 82.4 p -112.32 136.0 52.3 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.395 -0.522 . . . . 0.56 111.915 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -110.77 99.6 8.5 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.634 -0.876 . . . . 0.42 108.634 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.652 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.8 m -105.75 118.17 35.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.053 -0.522 . . . . 0.35 110.202 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.403 ' NE2' HG23 ' A' ' 38' ' ' THR . 5.4 mp0 -105.1 117.78 34.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.996 -0.372 . . . . 1.62 109.996 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -105.95 119.63 39.69 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.963 -0.562 . . . . 0.37 110.038 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 9.0 t80 -97.01 137.41 21.28 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.454 -0.794 . . . . 1.23 110.947 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 30.9 Cg_endo -65.61 113.85 2.67 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.448 2.099 . . . . 0.46 111.799 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.18 35.6 65.48 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.072 -0.585 . . . . 0.46 113.648 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.73 -164.38 11.0 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.395 -0.907 . . . . 0.41 112.841 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.52 145.96 48.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.648 0.261 . . . . 3.34 110.565 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -107.85 161.52 14.84 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.322 -0.399 . . . . 0.39 110.345 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.25 141.36 33.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.535 -0.302 . . . . 0.49 110.425 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.5 m -142.48 119.62 11.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.639 0.257 . . . . 0.31 110.97 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -126.26 122.01 34.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.347 0.594 . . . . 1.72 111.232 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.5 p -103.14 131.94 49.78 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.579 -0.737 . . . . 1.04 109.302 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -140.48 141.57 35.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.491 0.662 . . . . 0.88 111.969 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.485 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 55.3 m -107.11 126.62 52.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.628 -0.714 . . . . 0.25 109.279 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.423 HG21 ' HB2' ' A' ' 85' ' ' MET . 44.1 mm -55.15 126.8 13.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 120.674 0.273 . . . . 0.24 110.977 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.9 t70 75.83 22.06 1.54 Allowed 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.144 0.978 . . . . 1.1 110.395 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 31.0 tptt -137.12 147.28 45.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.422 -0.808 . . . . 1.59 110.259 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.5 mp0 -74.41 135.74 42.39 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.311 -0.625 . . . . 2.55 109.311 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -127.09 159.88 32.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.784 0.326 . . . . 0.31 111.508 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -101.08 121.66 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.433 -0.951 . . . . 1.95 108.433 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.471 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 2.7 mtt -126.3 161.49 27.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.708 0.766 . . . . 0.26 112.387 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.701 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 7.6 tt0 -142.07 141.96 32.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.277 -1.329 . . . . 1.47 107.73 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.546 HG23 ' HE1' ' A' ' 79' ' ' PHE . 51.8 p -86.73 -172.71 4.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.977 0.418 . . . . 0.36 110.814 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.8 mtp -89.06 -6.7 56.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.99 -0.55 . . . . 1.05 109.684 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.34 -32.48 7.75 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.308 -0.717 . . . . 0.48 111.308 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.73 31.64 0.75 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.48 113.629 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.701 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 6.3 mtp180 -97.29 122.86 40.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.732 0.266 . . . . 0.85 110.61 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -100.43 122.2 42.79 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.262 -1.014 . . . . 1.76 108.262 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.546 ' HE1' HG23 ' A' ' 73' ' ' THR . 43.3 p90 -156.71 176.87 12.16 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.758 -0.377 . . . . 1.17 111.659 -177.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.13 146.16 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.625 -0.509 . . . . 2.55 109.625 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.43 161.43 40.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.688 -0.233 . . . . 0.24 111.04 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -103.58 131.91 50.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.968 -0.382 . . . . 0.33 109.968 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.7 t -114.68 144.35 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.416 -0.357 . . . . 0.19 110.306 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -134.52 -179.49 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.625 -0.509 . . . . 1.14 109.625 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.423 ' HB2' HG21 ' A' ' 65' ' ' ILE . 1.8 mtt -131.27 134.15 46.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.486 0.184 . . . . 0.41 110.836 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -128.4 110.36 12.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 2.67 110.512 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.6 31.87 79.36 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 116.031 -0.531 . . . . 0.46 113.108 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.76 20.77 59.11 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 120.329 -0.939 . . . . 0.36 112.401 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -122.34 128.81 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.359 -0.608 . . . . 1.76 109.359 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' A' ' 100' ' ' THR . 1.7 mt -80.94 118.24 28.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.869 -0.332 . . . . 0.22 110.696 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.5 p -123.26 130.77 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.568 . . . . 0.25 110.859 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -111.22 140.34 45.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.821 -0.627 . . . . 0.25 110.831 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -90.5 121.63 32.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.001 0.429 . . . . 1.19 111.68 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.495 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 71.0 m-85 -145.4 152.45 49.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.625 -0.716 . . . . 1.27 110.615 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.23 114.26 3.94 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.432 2.088 . . . . 0.36 111.275 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.671 ' O ' ' HA ' ' A' ' 114' ' ' SER . 2.5 m-20 64.13 19.06 11.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.921 -0.581 . . . . 1.5 111.128 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.67 ' HA ' ' O ' ' A' ' 113' ' ' THR . 5.5 t80 -139.52 123.36 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.225 -0.657 . . . . 1.31 109.225 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -121.13 103.34 8.93 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.403 -0.817 . . . . 1.09 108.969 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -100.98 122.86 44.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.255 -0.43 . . . . 0.67 110.997 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 40.5 p -137.58 148.42 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.31 110.981 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -136.69 136.27 38.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.313 -0.403 . . . . 0.26 110.098 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -149.73 172.37 15.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 1.38 111.004 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 mm -113.49 124.17 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.496 -0.775 . . . . 0.37 110.39 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.9 t -95.28 -120.06 0.1 Allowed 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.803 -0.814 . . . . 1.37 108.803 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -80.2 61.84 4.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.469 -0.872 . . . . 0.96 111.003 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 21.59 77.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.03 -0.605 . . . . 0.5 111.806 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -130.91 146.61 52.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.032 0.444 . . . . 1.22 111.025 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.4 tm? -89.16 120.57 30.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.373 -0.831 . . . . 0.82 109.571 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 p -118.61 113.36 41.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 108.649 -0.871 . . . . 0.33 108.649 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.643 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 24.8 tt0 -96.57 137.22 35.98 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.006 -0.997 . . . . 1.69 110.304 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.89 125.03 69.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.951 -0.568 . . . . 0.37 110.77 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.1 m -124.48 114.3 19.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.847 -0.615 . . . . 0.37 109.91 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.703 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -103.01 133.38 48.24 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.291 -0.413 . . . . 0.27 110.335 179.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.671 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 0.2 OUTLIER -141.78 111.92 6.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.105 0.479 . . . . 1.43 110.463 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m 56.68 30.65 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.066 -0.97 . . . . 0.63 111.397 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.32 -35.34 5.11 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.506 -0.854 . . . . 0.46 113.159 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.91 126.04 29.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 117.1 0.45 . . . . 0.53 110.973 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.703 HG22 HG23 ' A' ' 113' ' ' THR . 21.8 t -103.32 117.17 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.982 -0.554 . . . . 0.97 111.142 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 20.1 t80 -104.4 125.25 50.44 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.127 -0.694 . . . . 1.22 109.127 178.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -123.78 147.29 47.67 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.078 0.466 . . . . 1.17 110.77 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.643 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -145.19 130.79 18.88 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.812 -0.631 . . . . 2.48 110.959 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.2 m -99.66 126.95 45.76 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.999 -0.546 . . . . 0.43 109.576 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 1.5 m -124.76 126.52 45.78 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.708 -0.397 . . . . 0.38 110.779 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 7.9 pttt -73.94 157.39 36.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.917 -0.583 . . . . 1.45 109.495 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -100.84 126.51 47.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.12 0.486 . . . . 1.45 111.032 -178.677 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.433 HD11 ' HB2' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -141.7 167.95 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.841 -0.618 . . . . 0.35 109.406 179.437 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.342 -0.837 . . . . 1.27 110.199 178.488 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--O 1.228 -0.059 0 N-CA-C 111.984 0.364 . . . . 1.24 111.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.4 m -55.2 142.8 29.85 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.283 0.563 . . . . 0.26 112.305 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.98 174.91 15.07 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.493 -0.86 . . . . 0.21 111.996 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -99.13 143.3 29.56 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.918 -0.771 . . . . 1.54 108.918 178.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CE2' ' HB2' ' A' ' 108' ' ' LEU . 63.1 m-85 -125.75 142.64 51.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.635 -0.257 . . . . 1.29 110.586 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -119.51 141.83 48.85 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.45 -0.204 . . . . 1.41 110.45 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 3.7 t80 -48.97 118.02 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.941 0.775 . . . . 1.86 111.431 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -110.44 -50.34 2.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.054 -0.521 . . . . 1.46 111.1 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.9 m -151.03 167.77 26.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.319 . . . . 1.01 111.506 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 1.8 p30 -151.96 159.02 43.89 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.811 -0.631 . . . . 1.72 109.779 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -144.43 138.49 27.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.908 -0.587 . . . . 1.44 110.295 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 60.17 34.77 21.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.936 -1.029 . . . . 0.84 112.266 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.421 ' O ' HG22 ' A' ' 18' ' ' VAL . 51.1 t80 -60.11 -61.5 2.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.44 . . . . 1.39 111.08 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.99 -42.29 79.98 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.078 -0.51 . . . . 1.3 111.742 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -47.73 83.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.098 0.475 . . . . 1.46 110.645 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CG ' ' HB2' ' A' ' 119' ' ' TYR . 64.4 t80 -62.65 -53.23 57.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.564 -0.744 . . . . 1.24 111.43 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 14' ' ' TYR . 32.2 m -59.78 -39.6 80.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 0.26 111.637 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -72.55 -24.31 61.11 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.832 0.349 . . . . 1.18 110.898 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -81.7 -45.75 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.445 . . . . 0.88 111.602 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.61 -17.56 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 111.782 0.29 . . . . 0.39 111.782 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.92 28.49 11.97 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.183 -1.008 . . . . 0.39 112.971 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.568 HD23 HG12 ' A' ' 28' ' ' ILE . 15.0 tp -69.83 132.46 88.79 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.694 -0.484 . . . . 0.31 109.694 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.45 ' O ' HG13 ' A' ' 28' ' ' ILE . 30.6 Cg_endo -66.76 140.26 55.31 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.108 1.872 . . . . 0.37 111.767 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.1 -32.99 56.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.234 -0.439 . . . . 0.39 111.647 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -41.32 85.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.639 -0.709 . . . . 2.03 110.481 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -88.72 -31.22 18.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.671 -0.695 . . . . 0.94 110.892 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.568 HG12 HD23 ' A' ' 23' ' ' LEU . 57.3 mt -56.81 -56.65 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.37 111.218 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 4.1 mm-40 -71.15 -20.3 62.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.948 -0.569 . . . . 1.73 110.979 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.452 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 8.8 tpt -77.49 -37.43 51.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.712 -0.676 . . . . 0.97 110.632 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.42 27.87 17.41 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.837 -0.697 . . . . 0.51 113.884 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.427 ' HD2' ' HA ' ' A' ' 29' ' ' GLU . 11.3 ptm180 -111.98 136.91 50.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.462 0.631 . . . . 2.27 110.507 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.25 21.19 10.61 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.674 -0.694 . . . . 1.78 110.738 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.5 m -92.04 137.15 32.6 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.798 -0.637 . . . . 1.16 110.358 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 81.26 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.651 . . . . 2.49 111.937 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.7 mm -77.53 128.06 38.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.924 -0.58 . . . . 0.66 110.031 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.467 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 5.2 t -101.82 120.72 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.018 -0.364 . . . . 0.37 110.018 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.682 ' HA ' ' O ' ' A' ' 50' ' ' THR . 25.9 m -103.37 105.42 15.68 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.055 -0.521 . . . . 0.33 110.076 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -97.98 117.79 33.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.822 0.344 . . . . 1.39 110.644 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.3 t -111.61 124.16 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.472 -0.786 . . . . 0.22 112.023 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.4 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 58.7 t -110.72 121.27 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 0.95 109.279 178.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.548 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 0.2 OUTLIER -84.01 119.09 24.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.948 0.404 . . . . 2.06 111.334 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -139.71 76.43 1.56 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.976 -0.557 . . . . 1.73 109.885 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.59 -95.5 0.79 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.759 -0.655 . . . . 0.4 111.776 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.71 2.42 8.2 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.071 0.462 . . . . 0.43 110.131 178.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 27.0 t70 -99.66 110.04 22.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 1.36 109.745 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.04 130.95 55.49 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.509 -0.552 . . . . 1.0 109.509 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -94.95 122.36 37.52 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 116.051 -0.522 . . . . 0.56 111.276 -179.367 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -101.71 100.87 11.29 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.751 -0.833 . . . . 0.42 108.751 178.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.682 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.9 m -101.29 127.1 48.05 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.85 -0.614 . . . . 0.35 110.405 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -114.31 116.24 28.65 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.594 -0.521 . . . . 1.62 109.594 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.467 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 84.3 m-70 -103.1 121.63 43.02 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.904 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.452 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 6.1 t80 -99.04 126.09 39.46 Favored Pre-proline 0 N--CA 1.441 -0.918 0 CA-C-N 115.499 -0.773 . . . . 1.23 109.298 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.94 112.23 1.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.092 1.861 . . . . 0.46 112.132 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.41 29.98 76.52 Favored Glycine 0 CA--C 1.522 0.473 0 CA-C-N 116.137 -0.483 . . . . 0.46 113.044 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.45 -166.02 12.24 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.013 -1.089 . . . . 0.41 113.701 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.87 147.66 51.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 3.34 111.312 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -105.78 156.86 17.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.178 -0.465 . . . . 0.39 110.342 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.66 113.65 11.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.485 -0.561 . . . . 0.49 109.485 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -125.4 115.85 20.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.944 0.402 . . . . 0.31 111.688 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -121.2 135.8 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.342 0.591 . . . . 1.72 110.019 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.6 p -111.67 128.02 55.94 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.298 -0.865 . . . . 1.04 109.252 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -136.67 139.55 42.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.199 0.523 . . . . 0.88 112.253 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 46' ' ' ASP . 18.4 m -107.05 131.75 53.74 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.911 -0.774 . . . . 0.25 108.911 178.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.7 mm -53.86 128.8 14.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 120.879 0.371 . . . . 0.24 111.313 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 70.21 27.62 4.12 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.361 -0.836 . . . . 1.1 109.943 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 64' ' ' THR . 11.8 tppt? -136.92 147.99 46.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.465 -0.789 . . . . 1.59 110.743 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -75.06 124.99 27.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.556 -0.905 . . . . 2.55 108.556 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -117.51 150.77 38.39 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.7 0.629 . . . . 0.31 112.7 -178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -83.45 121.2 26.87 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 107.695 -1.224 . . . . 1.95 107.695 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.565 ' SD ' ' HB3' ' A' ' 81' ' ' ALA . 41.7 mtt -125.55 164.41 20.58 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.934 0.716 . . . . 0.26 112.934 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.623 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 12.0 tt0 -159.93 138.86 10.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.701 -1.136 . . . . 1.47 109.038 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.629 HG23 ' HE1' ' A' ' 79' ' ' PHE . 29.8 p -87.45 173.39 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.937 0.398 . . . . 0.36 110.104 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.2 ttm -78.76 -7.87 58.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.522 -0.548 . . . . 1.05 109.522 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.09 -19.09 54.45 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.722 -0.672 . . . . 0.48 111.691 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.29 22.46 6.15 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.914 -0.66 . . . . 0.48 113.366 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.623 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.1 mtp85 -94.08 120.77 34.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.517 0.658 . . . . 0.85 110.413 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.78 129.91 45.94 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.119 -0.697 . . . . 1.76 109.119 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.629 ' HE1' HG23 ' A' ' 73' ' ' THR . 36.9 p90 -160.64 176.53 11.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.798 0.332 . . . . 1.17 110.456 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 79' ' ' PHE . 7.6 mmtt -131.67 141.33 49.56 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.744 -0.835 . . . . 2.55 108.744 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.565 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -151.06 162.45 40.84 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.552 0.215 . . . . 0.24 110.686 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 138.06 39.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.281 -0.418 . . . . 0.33 110.423 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 t -117.39 145.5 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.302 -0.408 . . . . 0.19 110.222 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.505 ' CG ' HG13 ' A' ' 91' ' ' VAL . 5.1 pttt -135.04 179.43 6.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.992 -0.373 . . . . 1.14 109.992 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 ttt -137.5 117.11 12.98 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.096 -0.242 . . . . 0.41 110.871 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -121.69 112.61 18.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.801 -0.181 . . . . 2.67 110.864 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.43 90.22 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 121.096 -0.574 . . . . 0.46 112.85 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.97 26.79 65.87 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.714 -0.755 . . . . 0.36 112.37 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -127.78 127.93 44.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.802 -0.444 . . . . 1.76 109.802 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mt -82.28 109.31 16.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.959 -0.385 . . . . 0.22 109.959 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.505 HG13 ' CG ' ' A' ' 84' ' ' LYS . 2.7 p -114.0 129.73 69.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.247 0.546 . . . . 0.25 110.791 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.76 142.53 36.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.827 -0.624 . . . . 0.25 110.11 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -96.66 121.49 38.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.132 0.492 . . . . 1.19 111.6 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.438 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 67.2 m-85 -144.16 157.52 56.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.348 -0.842 . . . . 1.27 111.356 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.86 120.44 3.83 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.66 2.24 . . . . 0.36 110.97 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.0 t30 62.94 21.26 12.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.56 0.695 . . . . 1.5 110.427 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.4 t80 -146.08 128.81 16.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.765 -0.652 . . . . 1.31 110.401 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.431 ' O ' ' HA ' ' A' ' 112' ' ' SER . 27.3 t60 -126.57 104.07 7.92 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.824 -0.625 . . . . 1.09 109.326 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -109.45 118.08 35.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.682 0.277 . . . . 0.67 111.146 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.4 HG22 ' HB ' ' A' ' 91' ' ' VAL . 23.4 p -128.17 133.18 48.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.31 110.514 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.79 133.78 55.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.26 110.347 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -155.64 171.22 20.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.868 0.366 . . . . 1.38 110.892 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 15.1 mm -102.89 118.89 50.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.804 -0.634 . . . . 0.37 110.41 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.8 t -123.83 110.17 14.54 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.979 -0.378 . . . . 1.37 109.979 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.26 30.77 73.74 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.04 -0.6 . . . . 0.96 112.201 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.48 13.27 82.82 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.02 -0.609 . . . . 0.5 112.295 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -123.94 153.58 40.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 1.22 110.634 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.645 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 2.1 tm? -93.68 119.49 32.75 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.164 -0.68 . . . . 0.82 109.164 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.9 p -124.36 116.44 47.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.138 0.494 . . . . 0.33 109.747 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.472 ' HG3' ' CD1' ' A' ' 108' ' ' LEU . 28.7 mt-10 -102.39 134.47 45.65 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.946 -0.57 . . . . 1.69 110.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.95 121.71 67.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.732 -0.667 . . . . 0.37 109.276 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.5 m -122.16 104.66 9.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.3 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.85 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -92.22 137.59 32.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.03 -0.532 . . . . 0.27 110.959 179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 t -154.65 117.59 4.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.651 0.262 . . . . 1.43 110.377 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 m 57.85 32.24 21.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.72 -0.673 . . . . 0.63 111.997 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.67 -22.3 39.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.424 -0.893 . . . . 0.46 113.542 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.4 t -84.25 121.89 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 117.24 0.52 . . . . 0.53 110.412 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.85 HG22 HG23 ' A' ' 113' ' ' THR . 48.8 t -97.81 110.66 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.896 -0.593 . . . . 0.97 111.55 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.463 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 60.9 t80 -97.01 133.25 41.92 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.287 -0.635 . . . . 1.22 109.287 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -131.59 138.91 49.03 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.809 0.337 . . . . 1.17 111.031 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 128.97 31.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 2.48 110.132 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 16.4 m -109.52 132.6 53.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.082 -0.508 . . . . 0.43 110.35 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -129.08 140.64 51.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.083 -0.508 . . . . 0.38 109.953 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 23.8 pttt -90.3 156.43 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.001 -0.37 . . . . 1.45 110.001 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.13 134.15 36.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.423 0.63 . . . . 1.45 111.449 -177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.463 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -142.22 166.01 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 114.855 -1.066 . . . . 0.35 109.082 178.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.353 -0.832 . . . . 1.27 109.443 178.908 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.412 0.149 . . . . 1.24 111.346 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.4 m -64.36 138.06 58.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.956 0.408 . . . . 0.26 110.556 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.514 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 137.55 168.11 11.25 Favored Glycine 0 N--CA 1.435 -1.4 0 C-N-CA 120.201 -1.0 . . . . 0.21 112.34 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 145.03 27.03 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.06 -1.089 . . . . 1.54 108.06 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 91.7 m-85 -126.39 141.78 51.77 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.586 0.232 . . . . 1.29 110.984 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 74.9 mt-10 -121.77 150.53 41.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.879 -0.6 . . . . 1.41 109.465 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -54.85 131.68 44.72 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.53 0.519 . . . . 1.86 111.26 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' A' ' 122' ' ' THR . 0.7 OUTLIER -126.72 -57.39 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.548 -0.751 . . . . 1.46 110.557 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -153.7 163.83 39.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.172 -0.467 . . . . 1.01 110.963 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 1.2 p30 -152.45 155.03 36.71 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.451 -0.574 . . . . 1.72 109.451 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -140.55 138.53 34.58 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.218 -0.446 . . . . 1.44 110.051 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 t30 61.75 49.28 4.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.942 -1.026 . . . . 0.84 111.431 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.422 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 7.3 t80 -77.18 -56.03 4.92 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.33 -0.395 . . . . 1.39 111.709 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.415 ' CG ' HH22 ' A' ' 32' ' ' ARG . 3.4 m-20 -58.34 -42.94 87.97 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.147 0.425 . . . . 1.3 112.147 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -39.41 94.13 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.996 0.427 . . . . 1.46 110.933 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.414 ' HB2' ' HB2' ' A' ' 119' ' ' TYR . 89.3 t80 -64.97 -53.99 37.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.511 -0.768 . . . . 1.24 111.278 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.7 m -62.69 -35.63 71.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.26 111.919 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.84 -24.76 63.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.379 . . . . 1.18 110.327 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 117' ' ' VAL . 0.9 OUTLIER -78.8 -54.3 6.22 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.735 -0.666 . . . . 0.88 111.609 -179.35 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 pt -69.32 -6.38 6.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.39 -0.823 . . . . 0.39 111.178 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.1 39.82 62.53 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.488 -0.863 . . . . 0.39 112.988 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.57 HD12 ' HD2' ' A' ' 24' ' ' PRO . 17.9 tp -72.47 132.77 83.45 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 109.637 -0.505 . . . . 0.31 109.637 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' HD12 ' A' ' 23' ' ' LEU . 32.5 Cg_endo -65.53 142.24 70.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.064 1.843 . . . . 0.37 111.71 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.28 -34.91 59.26 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.06 0.457 . . . . 0.39 111.292 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -39.96 80.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.283 -0.872 . . . . 2.03 110.821 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -88.85 -32.15 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.94 110.864 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.529 HG12 HD23 ' A' ' 23' ' ' LEU . 55.8 mt -57.59 -58.94 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.37 111.166 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -66.38 -30.6 71.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.918 -0.583 . . . . 1.73 110.798 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 tpt -68.14 -40.67 82.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.296 -0.866 . . . . 0.97 111.133 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.78 27.94 18.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.02 -0.609 . . . . 0.51 113.911 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.415 HH22 ' CG ' ' A' ' 15' ' ' ASP . 9.6 ptm180 -125.35 144.33 50.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.441 -0.577 . . . . 2.27 109.441 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.95 14.02 9.02 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.624 0.578 . . . . 1.78 110.736 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -97.18 156.94 16.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.058 -0.519 . . . . 1.16 111.248 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HG2' ' H ' ' A' ' 35' ' ' LYS . 24.9 pttt -88.12 88.08 7.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.418 0.628 . . . . 2.49 111.006 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.8 mm -87.98 122.91 40.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.81 -0.632 . . . . 0.66 110.189 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 25.4 t -102.87 125.8 57.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.314 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.624 ' HA ' ' O ' ' A' ' 50' ' ' THR . 98.6 m -111.07 109.64 19.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.092 -0.504 . . . . 0.33 109.764 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -100.23 117.77 35.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.869 0.366 . . . . 1.39 110.248 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 48' ' ' THR . 67.7 t -112.35 134.64 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.713 -0.676 . . . . 0.22 111.3 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.5 t -119.68 134.16 64.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.939 -0.573 . . . . 0.95 110.316 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.492 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 6.0 tp-100 -81.82 130.22 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 2.06 110.105 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -151.64 74.91 1.14 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.82 -0.437 . . . . 1.73 109.82 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.12 -92.06 0.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.878 -0.677 . . . . 0.4 111.413 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.88 10.47 3.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.193 0.52 . . . . 0.43 109.936 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -107.25 108.4 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.355 -0.838 . . . . 1.36 109.299 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -100.02 134.62 42.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.997 0.427 . . . . 1.0 110.768 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.574 HG22 ' OG ' ' A' ' 62' ' ' SER . 32.7 p -94.86 123.9 38.6 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.844 -0.616 . . . . 0.56 110.332 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -108.41 102.15 11.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.359 -0.608 . . . . 0.42 109.359 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.4 m -105.3 118.82 37.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.369 -0.378 . . . . 0.35 111.285 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -105.7 119.17 38.46 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 110.078 -0.341 . . . . 1.62 110.078 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.47 129.55 49.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.085 0.469 . . . . 0.37 110.547 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.49 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.2 t80 -111.42 120.04 43.73 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.387 -0.824 . . . . 1.23 110.148 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.49 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 33.5 Cg_endo -63.8 113.94 2.37 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.455 2.104 . . . . 0.46 111.518 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.49 31.9 82.4 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.708 -0.678 . . . . 0.46 112.378 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.422 ' HA3' ' CD2' ' A' ' 53' ' ' PHE . . . -147.31 -164.68 11.32 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.367 -0.921 . . . . 0.41 113.026 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.8 145.92 34.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 3.34 111.404 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 t -103.68 160.29 14.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.033 0.444 . . . . 0.39 110.946 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.23 131.97 21.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.012 -0.54 . . . . 0.49 110.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -137.07 117.88 14.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.698 0.285 . . . . 0.31 110.617 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -129.19 126.56 39.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.084 0.469 . . . . 1.72 110.469 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.574 ' OG ' HG22 ' A' ' 48' ' ' THR . 48.7 m -110.21 132.96 53.71 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.087 -0.709 . . . . 1.04 109.087 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -133.11 145.41 50.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.095 0.474 . . . . 0.88 112.029 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.476 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 65.1 m -107.4 128.4 54.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.678 -0.692 . . . . 0.25 109.564 178.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.401 HG23 ' HA ' ' A' ' 84' ' ' LYS . 45.3 mm -55.46 127.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.24 110.878 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.4 t70 74.85 21.75 2.02 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.197 0.999 . . . . 1.1 110.636 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HE2' ' O ' ' A' ' 68' ' ' GLU . 17.0 tptm -136.81 140.9 42.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.787 -0.642 . . . . 1.59 110.175 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 67' ' ' LYS . 28.5 tt0 -75.99 122.69 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.533 -0.543 . . . . 2.55 109.533 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -111.88 158.79 19.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.27 -0.423 . . . . 0.31 111.208 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.24 119.17 31.09 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.12 -1.067 . . . . 1.95 108.12 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.626 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 7.4 mtt -122.26 162.88 20.62 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.638 0.732 . . . . 0.26 112.258 -178.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 17.9 tt0 -149.85 142.39 24.43 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.654 -1.157 . . . . 1.47 108.254 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.681 HG23 ' HE1' ' A' ' 79' ' ' PHE . 26.4 p -97.84 175.38 6.18 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.666 -0.494 . . . . 0.36 109.666 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.6 mtt -74.21 -12.52 60.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.41 -0.589 . . . . 1.05 109.41 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.25 -10.33 83.83 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 111.179 -0.769 . . . . 0.48 111.179 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.57 20.97 30.31 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.296 -0.478 . . . . 0.48 112.845 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 8.5 mtp180 -82.13 124.28 29.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.815 0.308 . . . . 0.85 111.059 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -98.81 122.2 41.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.281 -0.637 . . . . 1.76 109.281 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.681 ' HE1' HG23 ' A' ' 73' ' ' THR . 48.0 p90 -160.74 175.0 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.468 0.544 . . . . 1.17 112.468 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.87 147.08 48.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.579 -0.737 . . . . 2.55 109.36 178.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.8 159.5 41.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.951 0.405 . . . . 0.24 111.736 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.93 124.06 43.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 0.33 109.78 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.3 t -110.01 138.15 39.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.628 -0.26 . . . . 0.19 110.493 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG3' HG13 ' A' ' 91' ' ' VAL . 16.0 pttt -127.74 -179.16 4.79 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.826 -0.435 . . . . 1.14 109.826 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.9 mtt -130.86 131.38 44.53 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 121.144 -0.222 . . . . 0.41 110.53 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.55 91.85 3.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.961 0.41 . . . . 2.67 111.199 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.67 53.29 44.77 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 115.978 -0.555 . . . . 0.46 113.408 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.68 18.47 79.69 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.837 -0.697 . . . . 0.36 113.169 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -127.08 116.09 20.16 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.117 -0.697 . . . . 1.76 109.117 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.6 mt -73.8 117.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 110.367 -0.234 . . . . 0.22 110.367 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.49 HG13 ' HG3' ' A' ' 84' ' ' LYS . 2.7 p -117.75 129.54 74.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.45 0.643 . . . . 0.25 111.346 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.0 137.53 51.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.659 -0.701 . . . . 0.25 109.822 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -103.7 123.56 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.026 0.441 . . . . 1.19 111.32 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.511 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 87.7 m-85 -137.47 156.53 74.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.604 -0.725 . . . . 1.27 110.084 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.01 113.21 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.169 1.913 . . . . 0.36 111.943 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 59.29 21.36 9.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.679 -0.691 . . . . 1.5 111.539 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.635 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.6 t80 -140.95 124.85 17.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.843 -0.617 . . . . 1.31 109.954 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.508 ' O ' ' HA ' ' A' ' 112' ' ' SER . 23.5 t60 -123.94 121.58 35.67 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.126 -0.488 . . . . 1.09 110.069 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.529 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 12.4 t60 -121.78 122.12 38.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.287 0.367 . . . . 0.67 111.035 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.9 p -128.85 132.0 47.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.162 -0.472 . . . . 0.31 110.453 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.84 137.56 51.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.226 -0.443 . . . . 0.26 110.367 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -157.35 175.82 13.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 1.38 111.104 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.8 mm -114.86 114.42 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.048 -0.524 . . . . 0.37 109.738 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.7 p -92.86 78.73 4.72 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.256 0.551 . . . . 1.37 110.434 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.5 -63.21 4.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.808 -0.71 . . . . 0.96 111.737 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -160.17 22.33 0.26 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.927 -0.654 . . . . 0.5 111.66 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -135.9 151.69 50.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.838 0.351 . . . . 1.22 110.558 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.0 tm? -91.64 122.34 34.12 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.105 -0.702 . . . . 0.82 109.105 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.6 p -127.48 121.22 56.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.333 0.587 . . . . 0.33 110.085 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -108.3 134.47 51.08 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.485 -0.779 . . . . 1.69 110.099 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 4.7 mp -113.52 126.28 70.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.827 -0.624 . . . . 0.37 109.678 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 2.0 m -126.8 108.37 10.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.126 -0.488 . . . . 0.37 110.446 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.665 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -93.94 133.71 37.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.915 -0.584 . . . . 0.27 110.022 179.191 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.8 p -131.21 96.71 4.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.985 0.422 . . . . 1.43 111.03 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.5 m 57.84 32.44 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.511 -0.768 . . . . 0.63 111.626 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.18 -44.07 1.47 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.662 -0.78 . . . . 0.46 113.585 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 70.4 t -69.17 124.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.028 0.442 . . . . 0.53 111.04 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.665 HG22 HG23 ' A' ' 113' ' ' THR . 46.0 t -100.1 110.78 27.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.699 -0.682 . . . . 0.97 111.31 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.414 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 41.6 t80 -98.6 134.85 40.97 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.866 -0.79 . . . . 1.22 108.866 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -133.98 140.34 46.67 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 120.623 0.249 . . . . 1.17 110.93 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 15.4 ptt-85 -137.5 136.98 38.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.105 0.479 . . . . 2.48 110.126 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.499 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 90.5 m -113.13 125.82 54.78 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.585 -0.734 . . . . 0.43 109.957 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.5 m -124.89 141.32 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.147 -0.478 . . . . 0.38 110.573 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.404 ' HE2' ' HB2' ' A' ' 7' ' ' GLU . 12.9 pttm -81.46 155.29 25.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.977 -0.556 . . . . 1.45 110.359 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.588 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -101.08 124.84 47.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.299 0.571 . . . . 1.45 110.422 -179.696 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -141.25 168.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.069 -1.086 . . . . 0.35 108.069 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.516 -0.754 . . . . 1.27 110.286 178.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 120.61 0.243 . . . . 1.24 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -63.62 145.95 54.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.077 -0.511 . . . . 0.26 112.045 -179.37 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.407 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 126.55 170.81 12.99 Favored Glycine 0 N--CA 1.438 -1.176 0 C-N-CA 120.54 -0.838 . . . . 0.21 112.406 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 6.9 ptmt -99.97 143.23 30.42 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.331 -0.989 . . . . 1.54 108.331 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.527 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 84.9 m-85 -125.77 146.67 49.67 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.633 0.254 . . . . 1.29 110.696 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -126.02 154.55 42.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.248 -0.433 . . . . 1.41 110.54 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -56.19 116.71 3.19 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 123.806 0.691 . . . . 1.86 111.083 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.9 tp10 -114.16 -55.26 2.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.138 -0.483 . . . . 1.46 110.541 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 m -146.82 156.83 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.56 -0.291 . . . . 1.01 111.01 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -145.21 155.02 43.01 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.753 -0.462 . . . . 1.72 109.753 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -148.1 139.91 23.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.192 -0.458 . . . . 1.44 110.172 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 60.63 48.08 7.66 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.601 -0.727 . . . . 0.84 111.373 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -76.4 -56.17 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.715 0.293 . . . . 1.39 111.008 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.414 ' HA ' HG22 ' A' ' 18' ' ' VAL . 11.5 m-20 -57.98 -46.12 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.966 -0.561 . . . . 1.3 111.22 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.16 -40.91 82.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.154 0.502 . . . . 1.46 110.557 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.417 ' O ' HG12 ' A' ' 21' ' ' ILE . 87.2 t80 -65.05 -55.59 18.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.258 -0.883 . . . . 1.24 110.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 15' ' ' ASP . 28.5 m -61.99 -34.91 65.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 0.26 111.85 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -72.89 -28.44 62.49 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.85 -0.34 . . . . 1.18 111.271 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -77.78 -39.36 44.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.581 -0.281 . . . . 0.88 111.184 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 17' ' ' PHE . 17.0 pt -80.97 -6.48 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.489 -0.323 . . . . 0.39 111.748 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.3 37.8 58.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.667 -0.778 . . . . 0.39 113.155 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.729 HD12 ' HD2' ' A' ' 24' ' ' PRO . 25.2 tp -73.51 136.3 78.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.117 -0.327 . . . . 0.31 110.117 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.729 ' HD2' HD12 ' A' ' 23' ' ' LEU . 33.6 Cg_endo -66.93 141.23 57.73 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.57 2.18 . . . . 0.37 111.74 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.08 -35.56 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.39 111.353 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -41.32 71.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 2.03 111.562 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -88.92 -33.84 17.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.991 -0.549 . . . . 0.94 110.717 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.562 HG12 HD23 ' A' ' 23' ' ' LEU . 59.4 mt -56.89 -53.3 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.16 0.505 . . . . 0.37 110.841 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -73.85 -18.41 60.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.775 -0.648 . . . . 1.73 111.356 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.411 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 11.2 tpt -82.29 -31.91 29.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.155 -0.475 . . . . 0.97 110.522 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.57 29.8 8.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.834 -0.698 . . . . 0.51 114.165 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -112.65 136.87 51.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.991 0.895 . . . . 2.27 110.751 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 62.51 15.45 7.87 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.503 -0.771 . . . . 1.78 111.176 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -87.36 152.22 22.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.124 -0.489 . . . . 1.16 110.5 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 92.06 8.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.102 0.477 . . . . 2.49 111.39 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' HIS . 3.5 mp -91.23 117.11 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.131 -0.692 . . . . 0.66 109.131 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -86.53 136.38 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.314 -0.403 . . . . 0.37 110.377 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 50' ' ' THR . 97.9 m -118.62 106.25 12.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.649 -0.25 . . . . 0.33 110.835 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -95.15 119.77 34.23 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.95 -0.389 . . . . 1.39 109.95 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 48' ' ' THR . 57.5 t -114.46 129.66 70.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 123.507 0.505 . . . . 0.22 111.72 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.477 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 47.9 t -114.4 128.54 71.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.627 -0.879 . . . . 0.95 108.627 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.577 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 9.3 tt0 -86.7 108.2 18.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.251 0.548 . . . . 2.06 111.072 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -120.81 73.55 1.02 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.501 -0.772 . . . . 1.73 109.328 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.18 -102.38 0.78 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 111.095 -0.802 . . . . 0.4 111.095 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.82 11.38 15.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.686 0.755 . . . . 0.43 109.237 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 27.7 t70 -109.12 111.06 22.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.64 -1.163 . . . . 1.36 109.368 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -108.23 129.13 55.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.239 0.542 . . . . 1.0 110.635 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.477 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -92.12 117.65 30.06 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.783 -0.644 . . . . 0.56 111.137 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -99.39 104.81 16.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.109 0.481 . . . . 0.42 109.748 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.72 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.6 m -106.88 119.23 38.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 0.35 110.789 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.418 ' NE2' HG23 ' A' ' 38' ' ' THR . 3.7 mp0 -109.73 118.48 36.65 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.24 0.338 . . . . 1.62 110.302 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 96.7 m-70 -107.2 132.16 53.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.022 0.439 . . . . 0.37 110.609 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 9.4 t80 -105.98 137.41 19.36 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.603 -0.726 . . . . 1.23 110.663 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.25 114.68 3.7 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.296 1.997 . . . . 0.46 111.84 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.42 30.57 76.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.974 -0.631 . . . . 0.46 112.707 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.38 -164.64 11.08 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.364 -0.922 . . . . 0.41 113.216 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.47 146.12 40.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.124 0.487 . . . . 3.34 111.699 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 t -100.74 159.43 15.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.127 -0.488 . . . . 0.39 110.406 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.55 136.7 39.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.823 -0.626 . . . . 0.49 109.494 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -147.17 117.99 7.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.92 0.39 . . . . 0.31 111.323 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.4 128.21 39.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.274 0.559 . . . . 1.72 110.624 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.457 ' HB3' HG22 ' A' ' 48' ' ' THR . 64.0 p -101.27 140.33 35.71 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.251 -0.886 . . . . 1.04 109.379 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -142.75 145.98 33.84 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.64 -0.424 . . . . 0.88 111.256 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 55.5 m -112.03 131.28 55.51 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.21 -0.663 . . . . 0.25 109.21 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.0 mm -55.26 128.5 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 120.744 0.307 . . . . 0.24 110.967 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 71.37 23.19 4.02 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.032 0.933 . . . . 1.1 110.317 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.8 tptt -136.87 144.39 43.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.418 -0.81 . . . . 1.59 110.059 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -78.17 139.45 38.97 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.547 -0.538 . . . . 2.55 109.547 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.53 150.03 51.92 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.537 0.569 . . . . 0.31 112.537 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.2 114.65 20.86 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.345 -0.843 . . . . 1.95 108.796 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.545 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.2 mtt -117.08 168.78 9.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.525 0.679 . . . . 0.26 112.38 -177.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.588 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 8.4 tt0 -156.57 141.92 17.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.839 -1.073 . . . . 1.47 108.592 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.741 HG23 ' HE1' ' A' ' 79' ' ' PHE . 30.8 p -100.87 174.21 6.14 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.802 -0.359 . . . . 0.36 110.204 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.8 mtt -72.81 -14.44 61.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.987 0.422 . . . . 1.05 110.387 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.59 -7.69 84.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.139 -0.553 . . . . 0.48 111.999 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.45 27.16 12.13 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.71 -0.757 . . . . 0.48 112.823 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.588 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 7.5 mtp85 -90.92 121.9 33.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.949 0.374 . . . . 0.85 110.23 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -100.4 121.74 42.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.812 -0.81 . . . . 1.76 108.812 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.741 ' HE1' HG23 ' A' ' 73' ' ' THR . 48.2 p90 -157.29 173.6 16.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.238 0.542 . . . . 1.17 112.269 -177.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 138.7 46.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.876 -0.787 . . . . 2.55 108.876 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.23 162.3 41.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.741 0.305 . . . . 0.24 111.187 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -102.48 140.43 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.291 -0.413 . . . . 0.33 110.096 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.76 145.27 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.129 -0.487 . . . . 0.19 110.169 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -136.79 174.41 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.93 -0.396 . . . . 1.14 109.93 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.4 ' HE2' HG12 ' A' ' 90' ' ' ILE . 1.7 mtt -129.5 133.44 47.27 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.119 -0.326 . . . . 0.41 110.119 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -135.72 103.18 5.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.993 0.425 . . . . 2.67 111.131 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.75 36.24 61.83 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.885 -0.598 . . . . 0.46 113.076 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.68 23.67 66.73 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.952 -0.642 . . . . 0.36 112.54 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -127.56 127.11 43.37 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.535 -0.543 . . . . 1.76 109.535 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' THR . 2.2 mt -82.57 114.31 23.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.926 -0.398 . . . . 0.22 109.926 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.5 p -117.55 131.94 68.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.424 0.631 . . . . 0.25 110.787 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 99' ' ' HIS . . . -107.56 144.17 34.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.553 -0.748 . . . . 0.25 110.244 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -97.3 121.56 39.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.444 -0.343 . . . . 1.19 110.87 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.541 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 70.5 m-85 -147.78 153.61 42.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.52 -0.764 . . . . 1.27 110.518 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.43 114.22 3.74 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.272 1.981 . . . . 0.36 110.92 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 65.08 10.59 6.46 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.249 0.62 . . . . 1.5 111.768 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.591 ' HA ' ' O ' ' A' ' 113' ' ' THR . 5.8 t80 -127.78 128.51 45.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.228 -0.656 . . . . 1.31 109.228 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.736 ' O ' ' HA ' ' A' ' 112' ' ' SER . 75.4 t60 -125.8 100.85 6.59 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.257 -0.883 . . . . 1.09 109.498 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . 6.0 t60 -99.23 120.98 40.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.67 110.717 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 20.3 p -134.76 128.79 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.997 0.427 . . . . 0.31 111.542 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.34 130.92 54.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.727 -0.67 . . . . 0.26 110.879 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -150.18 172.36 15.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 1.38 110.808 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 44.5 mm -111.03 119.08 58.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.026 -0.731 . . . . 0.37 109.026 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.8 m -131.2 107.25 8.87 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 110.185 -0.302 . . . . 1.37 110.185 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.37 28.29 55.92 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.457 -0.657 . . . . 0.96 111.457 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.31 27.09 66.59 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.229 -0.51 . . . . 0.5 111.94 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -138.44 144.3 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.75 0.31 . . . . 1.22 111.257 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 3.1 tm? -82.69 113.8 20.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.962 -0.755 . . . . 0.82 108.962 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.18 108.34 23.62 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 109.004 -0.739 . . . . 0.33 109.004 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -96.61 137.2 36.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.608 -0.724 . . . . 1.69 110.131 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.42 119.98 56.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.517 -0.765 . . . . 0.37 109.07 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.736 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 0.0 OUTLIER -128.42 116.72 20.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.798 -0.637 . . . . 0.37 110.886 -177.675 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.591 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -89.05 139.97 29.92 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.654 -0.703 . . . . 0.27 110.884 179.475 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.4 p -130.96 96.09 3.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.78 -0.646 . . . . 1.43 110.242 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.0 m 54.02 30.88 12.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.711 -0.677 . . . . 0.63 111.667 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 116.28 -28.76 7.39 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.431 -0.89 . . . . 0.46 113.125 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -80.55 124.58 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.084 0.442 . . . . 0.53 110.481 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.557 HG22 HG23 ' A' ' 113' ' ' THR . 52.0 t -98.42 110.46 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.975 0.417 . . . . 0.97 111.616 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -98.08 130.98 44.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.532 -0.758 . . . . 1.22 109.762 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -126.89 144.65 50.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.888 0.375 . . . . 1.17 111.39 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -144.92 121.79 11.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.233 -0.44 . . . . 2.48 111.078 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.449 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 20.9 m -98.75 129.25 45.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.927 -0.579 . . . . 0.43 110.002 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 m -124.59 139.47 53.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.475 -0.329 . . . . 0.38 110.703 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 17.7 pttm -82.8 150.25 26.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.287 -0.415 . . . . 1.45 110.04 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.531 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -96.57 123.65 40.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.136 0.493 . . . . 1.45 110.53 -179.643 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -139.24 168.99 17.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.78 -0.646 . . . . 0.35 109.504 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 119.125 -0.464 . . . . 1.27 110.114 178.808 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.544 0.212 . . . . 1.24 111.464 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.456 HG23 ' HA ' ' A' ' 41' ' ' VAL . 0.6 OUTLIER -68.08 139.09 56.21 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.74 0.305 . . . . 0.26 111.259 -179.437 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 170.6 11.91 Favored Glycine 0 N--CA 1.439 -1.131 0 C-N-CA 120.906 -0.664 . . . . 0.21 111.993 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -97.32 142.96 28.56 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.558 -0.905 . . . . 1.54 108.558 178.099 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.483 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 80.4 m-85 -128.09 140.58 51.87 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.694 -0.23 . . . . 1.29 110.397 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -124.32 142.09 51.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 1.41 110.944 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -47.92 119.37 2.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 114.956 -1.02 . . . . 1.86 111.799 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.4 -50.85 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 1.46 110.783 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -147.86 157.67 43.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.569 -0.287 . . . . 1.01 110.827 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -147.04 155.18 42.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.568 -0.53 . . . . 1.72 109.568 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 24.3 tt0 -147.35 137.41 23.1 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.999 -0.546 . . . . 1.44 110.02 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 64.06 37.52 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.247 -0.888 . . . . 0.84 111.257 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -64.69 -62.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 1.39 110.992 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.527 ' HA ' HG22 ' A' ' 18' ' ' VAL . 7.5 m-20 -57.93 -40.1 79.63 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.315 -0.402 . . . . 1.3 110.963 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -43.79 94.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.095 0.474 . . . . 1.46 110.513 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.445 ' O ' HG12 ' A' ' 21' ' ' ILE . 63.1 t80 -66.12 -52.63 46.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.654 -0.703 . . . . 1.24 111.297 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.4 m -62.38 -34.86 66.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.26 111.622 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.68 -25.04 58.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.991 0.424 . . . . 1.18 110.405 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -80.85 -44.0 19.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 0.88 111.451 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 17' ' ' PHE . 14.6 pt -77.96 -6.56 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.895 0.331 . . . . 0.39 111.895 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.49 32.29 42.74 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.098 -0.572 . . . . 0.39 113.544 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.6 HD23 HG12 ' A' ' 28' ' ' ILE . 17.8 tp -71.68 132.21 85.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.886 0.343 . . . . 0.31 110.251 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' HD12 ' A' ' 23' ' ' LEU . 31.1 Cg_endo -65.2 140.23 63.93 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 121.878 1.718 . . . . 0.37 111.553 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.91 -39.58 54.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.775 0.658 . . . . 0.39 112.775 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 30' ' ' MET . 1.4 m-20 -62.3 -32.81 73.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.59 -0.277 . . . . 2.03 111.616 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 61.3 mmtt -86.49 -30.8 21.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.711 -0.478 . . . . 0.94 109.711 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.6 HG12 HD23 ' A' ' 23' ' ' LEU . 75.3 mt -61.53 -60.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.501 -0.772 . . . . 0.37 110.613 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -62.86 -24.68 67.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.587 -0.733 . . . . 1.73 111.295 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 7.8 tpt -73.46 -45.72 52.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.439 -0.8 . . . . 0.97 110.342 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.73 25.65 26.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.51 114.076 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -114.18 142.8 45.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 117.439 0.619 . . . . 2.27 110.875 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 60.04 19.62 8.78 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.106 -0.952 . . . . 1.78 110.475 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.7 m -98.8 138.71 35.56 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.485 -0.78 . . . . 1.16 110.415 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 89.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 2.49 111.405 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mm -85.5 122.02 37.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.019 -0.537 . . . . 0.66 109.911 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.7 t -100.0 131.41 47.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.88 -0.415 . . . . 0.37 109.88 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.673 ' HA ' ' O ' ' A' ' 50' ' ' THR . 52.0 m -113.87 108.98 17.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.33 110.342 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -97.42 116.52 29.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.883 -0.414 . . . . 1.39 109.883 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 48' ' ' THR . 79.1 t -111.22 129.98 65.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 123.534 0.521 . . . . 0.22 111.104 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.456 ' HA ' HG23 ' A' ' 3' ' ' THR . 89.5 t -120.64 134.9 62.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.289 -1.004 . . . . 0.95 108.289 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -98.25 115.57 28.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.176 0.512 . . . . 2.06 111.377 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -128.06 81.6 2.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.639 -0.71 . . . . 1.73 109.569 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.31 -91.98 0.75 Allowed Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.96 -0.856 . . . . 0.4 110.96 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' OD1' ' HB ' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -133.61 10.11 4.0 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.241 -0.651 . . . . 0.43 109.241 178.015 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 18.8 t70 -105.4 109.35 21.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.885 . . . . 1.36 109.032 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -100.03 130.8 46.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.931 0.396 . . . . 1.0 110.171 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 73.2 p -93.46 121.07 34.48 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.936 -0.575 . . . . 0.56 110.726 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -103.31 109.25 20.79 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.647 -0.501 . . . . 0.42 109.647 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.673 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.5 m -111.36 120.36 41.95 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.042 -0.526 . . . . 0.35 110.99 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -109.66 117.95 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.925 0.393 . . . . 1.62 110.074 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -101.62 134.11 45.27 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.93 -0.577 . . . . 0.37 110.522 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 3.7 t80 -112.2 125.24 30.48 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 115.093 -0.958 . . . . 1.23 109.965 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.7 Cg_endo -62.71 115.22 2.78 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.471 2.114 . . . . 0.46 112.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.99 28.55 72.96 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.899 -0.591 . . . . 0.46 113.263 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.5 -165.57 11.95 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.358 -0.925 . . . . 0.41 113.303 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.42 143.84 46.59 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.1 0.476 . . . . 3.34 111.798 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.0 t -104.1 159.46 15.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.877 -0.602 . . . . 0.39 110.082 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.99 139.16 42.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.18 -0.304 . . . . 0.49 110.18 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -145.71 114.3 6.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.861 0.362 . . . . 0.31 111.406 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.8 129.45 44.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.146 0.498 . . . . 1.72 110.693 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.8 p -105.54 141.47 36.96 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.432 -0.804 . . . . 1.04 109.544 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' ASP . 45.1 p90 -140.91 141.72 34.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.095 0.474 . . . . 0.88 112.185 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.553 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 52.0 m -104.85 130.75 52.93 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.134 -0.691 . . . . 0.25 109.134 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.558 HG23 ' HA ' ' A' ' 84' ' ' LYS . 45.4 mm -57.01 124.37 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.042 0.448 . . . . 0.24 110.955 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 73.26 27.8 1.9 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.93 -1.032 . . . . 1.1 109.923 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 43.6 tptt -139.36 147.72 41.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.273 -0.876 . . . . 1.59 110.577 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.93 139.81 55.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.066 -0.716 . . . . 2.55 109.066 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.43 ' HB3' ' HE3' ' A' ' 71' ' ' MET . . . -134.41 141.51 46.85 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.311 0.577 . . . . 0.31 112.376 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.43 113.49 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.72 -1.127 . . . . 1.95 108.466 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.506 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 27.1 mtt -119.73 169.93 9.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.428 0.632 . . . . 0.26 112.495 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.601 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 7.1 tt0 -158.71 140.71 13.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.668 -1.151 . . . . 1.47 108.338 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.689 HG23 ' HE1' ' A' ' 79' ' ' PHE . 37.0 p -91.27 -177.26 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.946 0.403 . . . . 0.36 111.014 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 46.3 mtp -83.55 -5.13 59.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.223 -0.444 . . . . 1.05 109.874 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.07 -18.55 39.36 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.281 -0.728 . . . . 0.48 111.281 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.46 19.2 8.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.152 -0.547 . . . . 0.48 113.239 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.601 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 14.7 mtp85 -85.2 123.54 30.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.062 0.431 . . . . 0.85 110.169 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.09 122.3 44.38 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.884 -0.784 . . . . 1.76 108.884 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.689 ' HE1' HG23 ' A' ' 73' ' ' THR . 35.4 p90 -153.4 175.88 12.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.076 0.465 . . . . 1.17 111.664 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.88 137.6 46.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.076 -0.712 . . . . 2.55 109.076 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.59 161.41 41.75 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.814 0.34 . . . . 0.24 111.116 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.22 132.94 49.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.03 -0.532 . . . . 0.33 109.645 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.49 142.31 32.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.415 -0.357 . . . . 0.19 110.052 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.558 ' HA ' HG23 ' A' ' 65' ' ' ILE . 7.2 pttt -135.91 -176.41 4.3 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.451 -0.574 . . . . 1.14 109.451 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.2 mtt -125.16 150.38 46.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.651 0.263 . . . . 0.41 110.765 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.1 78.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.895 0.379 . . . . 2.67 111.131 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.82 50.6 10.77 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.549 -0.834 . . . . 0.46 113.124 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.9 15.44 81.19 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.888 -0.673 . . . . 0.36 112.82 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -127.06 124.32 39.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.952 -0.758 . . . . 1.76 108.952 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.0 mt -78.42 121.48 31.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.528 0.204 . . . . 0.22 110.982 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' A' ' 84' ' ' LYS . 7.4 p -118.28 126.54 75.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.389 0.614 . . . . 0.25 110.895 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -101.46 137.59 39.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.747 -0.661 . . . . 0.25 109.835 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -97.06 122.09 39.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.095 0.474 . . . . 1.19 111.265 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.483 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 73.4 m-85 -145.63 151.92 47.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.166 -0.925 . . . . 1.27 110.363 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -72.87 113.27 3.72 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.175 1.917 . . . . 0.36 111.702 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.46 ' O ' ' HA ' ' A' ' 114' ' ' SER . 0.9 OUTLIER 66.03 16.53 10.5 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.778 -0.646 . . . . 1.5 110.855 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.574 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.2 t80 -136.94 128.52 28.63 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.724 -0.843 . . . . 1.31 108.724 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.604 ' O ' ' HA ' ' A' ' 112' ' ' SER . 24.5 t60 -126.93 116.59 21.04 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.36 -0.382 . . . . 1.09 110.11 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -119.58 120.36 36.48 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.989 0.181 . . . . 0.67 110.759 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.7 p -129.9 135.6 48.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.542 -0.299 . . . . 0.31 111.125 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.86 127.85 54.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.963 -0.562 . . . . 0.26 110.252 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.89 170.33 18.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.044 0.45 . . . . 1.38 110.858 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 34.6 mm -110.35 115.51 49.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.682 -0.69 . . . . 0.37 109.181 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.3 m -133.31 104.08 6.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.098 0.475 . . . . 1.37 110.452 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.65 28.3 27.16 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.533 -0.627 . . . . 0.96 111.533 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.84 21.59 79.65 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.161 -0.776 . . . . 0.5 111.161 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -133.96 152.4 51.84 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.95 0.405 . . . . 1.22 110.714 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -92.19 116.23 28.77 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.614 -0.884 . . . . 0.82 108.614 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 4.5 p -121.73 118.61 56.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 121.16 0.505 . . . . 0.33 110.266 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -103.9 141.01 36.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.616 -0.72 . . . . 1.69 110.545 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.505 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.1 mp -122.24 120.79 62.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.651 -0.704 . . . . 0.37 109.816 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.604 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.5 m -119.74 109.36 15.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.37 110.279 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -97.07 136.07 38.15 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.002 -0.544 . . . . 0.27 110.639 179.71 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 67.0 m -147.02 110.87 5.0 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.335 0.397 . . . . 1.43 110.901 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.5 m 55.32 33.85 21.61 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.552 -0.749 . . . . 0.63 112.617 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.76 -26.46 21.02 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.42 -0.895 . . . . 0.46 113.658 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 113' ' ' THR . 87.7 t -83.38 126.5 40.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.353 0.576 . . . . 0.53 111.075 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.447 HG23 HG23 ' A' ' 111' ' ' ILE . 6.7 p -105.97 109.96 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.752 0.787 . . . . 0.97 110.883 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.413 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 27.7 t80 -95.33 116.45 28.79 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.484 -0.78 . . . . 1.22 110.384 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.505 ' HG2' HG13 ' A' ' 111' ' ' ILE . 68.0 mttt -106.55 143.71 34.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.151 -0.477 . . . . 1.17 110.568 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -143.84 122.71 12.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.807 -0.633 . . . . 2.48 109.888 178.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 33.7 m -106.12 123.51 48.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.734 -0.667 . . . . 0.43 110.042 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.7 m -123.72 132.12 53.75 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.873 -0.417 . . . . 0.38 109.873 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 12.6 pttm -77.31 154.0 33.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 1.45 110.27 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 127.87 42.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.954 -0.567 . . . . 1.45 110.112 -179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -141.57 166.4 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.015 -0.539 . . . . 0.35 110.064 178.729 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 117.831 -1.081 . . . . 1.27 108.937 178.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 111.717 0.266 . . . . 1.24 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' ' 42' ' ' GLN . 1.3 m -55.74 136.86 50.64 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.925 0.393 . . . . 0.26 111.621 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.55 ' HA3' ' HE3' ' A' ' 125' ' ' LYS . . . 134.73 172.37 12.77 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.454 -0.879 . . . . 0.21 112.293 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.2 OUTLIER -100.85 145.72 28.22 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.751 -0.833 . . . . 1.54 108.751 178.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 93.5 m-85 -127.12 141.63 51.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.48 -0.327 . . . . 1.29 110.808 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -126.9 159.19 34.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.827 -0.624 . . . . 1.41 110.086 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.24 128.29 33.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 123.773 0.671 . . . . 1.86 111.029 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 122' ' ' THR . 12.0 tp10 -127.07 -52.62 1.41 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.747 -0.66 . . . . 1.46 110.051 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -152.49 163.12 40.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.995 -0.548 . . . . 1.01 110.256 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 1.1 p30 -156.61 152.71 27.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.757 -0.46 . . . . 1.72 109.757 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -141.31 140.01 33.73 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.126 -0.488 . . . . 1.44 109.895 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 60.9 31.65 20.0 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.045 0.841 . . . . 0.84 111.209 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 49.2 t80 -58.5 -62.61 1.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.611 0.226 . . . . 1.39 111.611 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.53 ' HA ' HG22 ' A' ' 18' ' ' VAL . 6.1 m-20 -60.95 -42.94 99.22 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.583 -0.28 . . . . 1.3 110.86 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -38.7 76.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.87 0.367 . . . . 1.46 110.604 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' HA ' HG11 ' A' ' 117' ' ' VAL . 74.0 t80 -69.23 -55.8 9.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.048 -0.524 . . . . 1.24 111.289 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.0 m -60.06 -36.25 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 0.26 111.791 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -72.35 -30.27 64.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.964 0.411 . . . . 1.18 110.303 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.71 -45.16 38.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 0.88 111.422 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.4 pt -74.04 -11.94 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.39 111.531 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.7 29.7 34.69 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.714 -0.755 . . . . 0.39 112.998 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.698 HD23 HG12 ' A' ' 28' ' ' ILE . 19.8 tp -68.1 133.26 91.73 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.169 -0.678 . . . . 0.31 109.169 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.653 ' HD2' HD12 ' A' ' 23' ' ' LEU . 29.7 Cg_endo -65.43 137.55 51.42 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.157 1.904 . . . . 0.37 111.447 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.66 -35.65 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.195 0.522 . . . . 0.39 111.164 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 30' ' ' MET . 33.6 t70 -56.89 -37.9 72.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.024 -0.989 . . . . 2.03 111.085 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 40.9 mmtt -90.63 -32.95 16.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.366 -0.379 . . . . 0.94 111.179 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.698 HG12 HD23 ' A' ' 23' ' ' LEU . 87.1 mt -57.52 -60.46 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.816 -0.629 . . . . 0.37 111.246 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.71 -22.66 66.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.871 -0.604 . . . . 1.73 110.652 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.469 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 8.0 tpt -71.47 -37.14 71.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.355 -0.839 . . . . 0.97 110.032 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.1 25.39 14.17 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.565 -0.826 . . . . 0.51 114.057 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -105.29 135.81 45.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.621 0.71 . . . . 2.27 110.957 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.59 23.94 9.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.293 -0.867 . . . . 1.78 110.571 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.2 m -91.54 149.36 21.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.498 -0.774 . . . . 1.16 110.341 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 76.8 4.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.222 0.534 . . . . 2.49 111.531 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.08 117.32 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.836 -0.62 . . . . 0.66 109.648 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 9.5 t -97.69 122.85 49.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 116.07 -0.514 . . . . 0.37 109.772 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' A' ' 50' ' ' THR . 40.7 m -109.35 106.1 15.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.173 -0.467 . . . . 0.33 110.375 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -95.94 118.35 32.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.559 -0.291 . . . . 1.39 110.44 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.01 125.29 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 123.811 0.694 . . . . 0.22 111.264 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.452 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 96.6 t -110.2 126.61 67.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.903 -0.777 . . . . 0.95 108.903 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HB3' ' OG1' ' A' ' 3' ' ' THR . 13.5 pt20 -81.97 120.54 25.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.225 0.536 . . . . 2.06 111.967 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.437 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 1.3 t-20 -142.19 79.49 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.806 -0.813 . . . . 1.73 108.806 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.1 -101.46 0.43 Allowed Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 114.928 -1.033 . . . . 0.4 112.113 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.47 -17.86 13.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 120.878 -0.329 . . . . 0.43 111.473 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.553 ' HB3' ' OG1' ' A' ' 64' ' ' THR . 0.2 OUTLIER -87.2 110.85 20.44 Favored 'General case' 0 N--CA 1.421 -1.886 0 CA-C-O 121.601 0.715 . . . . 1.36 111.824 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -101.53 133.12 46.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.113 -0.948 . . . . 1.0 109.477 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.452 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.6 OUTLIER -97.84 119.53 36.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.96 0.41 . . . . 0.56 111.071 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -99.14 104.52 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.953 -0.567 . . . . 0.42 109.806 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.4 m -103.05 118.06 35.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.922 -0.581 . . . . 0.35 110.996 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.408 ' NE2' HG23 ' A' ' 38' ' ' THR . 4.4 mp0 -103.94 119.48 39.01 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.782 0.325 . . . . 1.62 110.399 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.32 128.43 50.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.081 0.467 . . . . 0.37 110.108 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.469 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.4 t80 -109.91 124.05 34.59 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.653 -0.703 . . . . 1.23 110.417 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.469 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.3 Cg_endo -60.12 115.07 2.39 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.657 2.238 . . . . 0.46 111.909 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.62 27.34 67.99 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.763 -0.653 . . . . 0.46 112.793 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.24 -169.13 13.38 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.969 -1.11 . . . . 0.41 113.571 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.57 147.61 51.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.197 0.522 . . . . 3.34 112.013 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 t -105.81 159.48 15.97 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.251 -0.648 . . . . 0.39 109.251 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.8 m -146.24 120.13 9.32 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.72 0.295 . . . . 0.49 110.239 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 m -121.68 124.52 44.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.616 -0.265 . . . . 0.31 110.803 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.43 133.99 54.61 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.127 0.489 . . . . 1.72 110.946 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.6 p -111.88 127.29 55.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.568 -0.742 . . . . 1.04 110.18 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 46' ' ' ASP . 45.7 p90 -136.16 151.97 50.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 0.88 110.847 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 97.9 m -120.97 133.03 55.26 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.038 -0.528 . . . . 0.25 109.995 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.7 mm -57.23 127.27 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.829 0.347 . . . . 0.24 111.049 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t70 70.76 24.24 4.3 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.912 0.885 . . . . 1.1 109.629 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 17.9 tptm -136.93 141.32 42.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.976 -1.011 . . . . 1.59 110.82 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' O ' ' HE2' ' A' ' 67' ' ' LYS . 16.6 pt-20 -69.72 133.88 48.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.368 -0.605 . . . . 2.55 109.368 177.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -127.72 159.63 34.18 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.109 0.48 . . . . 0.31 111.863 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -102.65 124.55 48.4 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.544 -0.91 . . . . 1.95 108.544 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.617 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 6.1 mtt -129.34 162.18 28.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.763 0.792 . . . . 0.26 112.157 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.683 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -148.3 135.17 20.03 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.128 -1.434 . . . . 1.47 107.128 178.181 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.733 HG23 ' HE1' ' A' ' 79' ' ' PHE . 69.7 p -87.68 176.27 7.5 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.546 -0.462 . . . . 0.36 110.724 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.2 mtp -79.53 -5.62 55.25 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.236 -0.653 . . . . 1.05 109.236 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.22 -11.9 58.04 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.657 -0.701 . . . . 0.48 111.659 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.95 29.79 6.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.149 -0.548 . . . . 0.48 113.301 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.683 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 22.0 mtp85 -97.52 119.3 35.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.986 0.393 . . . . 0.85 110.872 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -98.09 122.5 41.3 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.802 -0.814 . . . . 1.76 108.802 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.733 ' HE1' HG23 ' A' ' 73' ' ' THR . 51.2 p90 -156.36 169.6 24.22 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.633 0.73 . . . . 1.17 112.704 -178.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.06 137.39 52.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.924 -1.035 . . . . 2.55 108.966 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.63 158.63 44.34 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.934 0.397 . . . . 0.24 111.173 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -104.2 135.7 45.19 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.939 -0.573 . . . . 0.33 109.851 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 t -116.09 145.17 22.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.181 -0.463 . . . . 0.19 110.739 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.458 ' CG ' HG13 ' A' ' 91' ' ' VAL . 15.0 pttt -133.94 175.78 9.16 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.559 -0.534 . . . . 1.14 109.559 179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.0 mtt -128.94 125.66 37.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.846 0.355 . . . . 0.41 111.124 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 6.6 pt-20 -118.14 89.22 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.057 -0.52 . . . . 2.67 111.507 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.64 50.24 44.26 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.061 -0.59 . . . . 0.46 113.074 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.07 17.66 79.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.857 -0.687 . . . . 0.36 112.746 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -124.03 116.87 23.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.534 -0.543 . . . . 1.76 109.534 179.612 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.1 mt -77.71 110.95 13.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.0 -0.545 . . . . 0.22 110.621 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.458 HG13 ' CG ' ' A' ' 84' ' ' LYS . 3.4 p -113.97 131.99 64.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.151 0.5 . . . . 0.25 110.544 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -113.75 143.66 44.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.856 -0.611 . . . . 0.25 110.535 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -96.79 126.84 42.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.243 -0.435 . . . . 1.19 111.403 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.507 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 82.4 m-85 -143.68 152.04 55.13 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 1.27 109.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -68.93 114.11 3.46 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 121.86 1.706 . . . . 0.36 112.306 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 114' ' ' SER . 62.3 t30 62.43 22.91 13.56 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.934 0.873 . . . . 1.5 110.549 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.7 t80 -142.01 121.23 13.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.344 -0.844 . . . . 1.31 109.769 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -114.06 110.92 20.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.421 -0.585 . . . . 1.09 109.421 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -115.15 122.88 47.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.228 0.33 . . . . 0.67 111.37 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.7 p -131.89 130.64 41.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.874 -0.603 . . . . 0.31 110.758 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.0 130.26 56.55 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.693 -0.484 . . . . 0.26 109.693 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -155.11 171.27 20.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.012 0.434 . . . . 1.38 111.037 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.7 mm -112.54 128.3 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.598 -0.728 . . . . 0.37 110.074 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.8 m -142.68 116.05 9.03 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.866 -0.42 . . . . 1.37 109.866 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.15 29.31 66.81 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.756 -0.735 . . . . 0.96 111.596 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.93 23.2 78.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.003 -0.618 . . . . 0.5 111.801 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.16 148.67 52.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 1.22 110.891 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.9 tm? -90.91 124.8 35.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.939 -0.763 . . . . 0.82 108.939 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.7 p -130.87 114.1 26.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 121.428 0.632 . . . . 0.33 110.431 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -104.24 120.84 42.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.574 -0.739 . . . . 1.69 109.801 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.37 130.24 48.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.113 -0.494 . . . . 0.37 109.765 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 m -125.33 104.5 8.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.087 -0.506 . . . . 0.37 110.924 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -95.39 134.59 38.02 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.676 -0.49 . . . . 0.27 109.676 178.492 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.512 ' O ' HG12 ' A' ' 117' ' ' VAL . 6.9 t -153.07 119.54 5.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.921 0.391 . . . . 1.43 110.478 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 m 59.9 25.29 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.705 -0.679 . . . . 0.63 111.983 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.12 -27.24 20.22 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.473 -0.87 . . . . 0.46 113.279 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 114' ' ' SER . 1.7 p -80.31 134.87 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.902 0.382 . . . . 0.53 110.244 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.98 115.03 48.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.317 0.579 . . . . 0.97 111.425 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.411 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 39.4 t80 -98.94 132.55 44.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.871 -0.604 . . . . 1.22 110.149 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -130.37 139.47 50.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.355 -0.384 . . . . 1.17 110.009 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.0 ptt85 -144.48 123.67 12.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.296 0.569 . . . . 2.48 110.843 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 2.8 m -93.26 125.98 38.13 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.12 -0.945 . . . . 0.43 109.899 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m -120.33 131.1 54.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.757 -0.46 . . . . 0.38 109.757 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.4 pttm -80.03 148.24 31.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.317 -0.401 . . . . 1.45 110.37 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.55 ' HE3' ' HA3' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -94.66 123.1 37.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.212 0.53 . . . . 1.45 110.843 -179.134 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.9 167.03 14.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.717 -0.674 . . . . 0.35 109.623 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.63 -0.7 . . . . 1.27 110.165 178.642 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.651 0.263 . . . . 1.24 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.473 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.7 m -58.72 140.08 55.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.26 111.329 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.495 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 132.97 172.53 13.03 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 119.951 -1.119 . . . . 0.21 112.258 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -101.99 143.67 31.56 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.156 -0.683 . . . . 1.54 109.156 178.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.639 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 74.2 m-85 -129.18 139.88 51.73 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.347 -0.388 . . . . 1.29 110.497 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -124.83 151.91 44.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.263 -0.643 . . . . 1.41 109.263 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.419 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 28.4 t80 -48.55 118.96 2.76 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.742 0.651 . . . . 1.86 112.034 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.524 ' OE1' ' HB3' ' A' ' 124' ' ' LYS . 0.8 OUTLIER -110.04 -47.76 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.439 -0.8 . . . . 1.46 109.512 179.204 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m -161.56 174.35 13.49 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.136 -0.484 . . . . 1.01 110.237 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.551 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -156.95 163.71 38.83 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.659 -0.497 . . . . 1.72 109.659 179.835 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 23.6 tt0 -151.12 139.11 20.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 1.44 110.486 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 63.01 33.63 14.62 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.19 0.931 . . . . 0.84 111.954 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.551 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 89.2 t80 -61.57 -59.54 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.667 0.27 . . . . 1.39 111.351 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.15 -44.16 74.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.604 . . . . 1.3 111.182 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.17 -44.67 96.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.962 -0.563 . . . . 1.46 110.571 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.481 ' O ' HG12 ' A' ' 21' ' ' ILE . 73.1 t80 -62.71 -55.73 24.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.723 -0.671 . . . . 1.24 111.391 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.47 -35.89 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.26 111.525 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -74.55 -30.54 61.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 1.18 110.873 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -73.4 -45.44 54.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.381 -0.372 . . . . 0.88 111.036 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 17' ' ' PHE . 35.4 pt -74.53 -12.78 15.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.963 0.411 . . . . 0.39 110.901 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.3 36.02 31.99 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.964 -0.636 . . . . 0.39 112.742 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.632 HD23 HG12 ' A' ' 28' ' ' ILE . 20.6 tp -69.14 132.97 89.84 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.877 -0.416 . . . . 0.31 109.877 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HD2' HD12 ' A' ' 23' ' ' LEU . 30.1 Cg_endo -65.78 141.67 66.63 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.164 1.909 . . . . 0.37 111.492 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.97 -37.66 53.86 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.526 0.516 . . . . 0.39 111.68 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -57.25 -37.06 71.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.651 -0.704 . . . . 2.03 111.595 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -88.36 -35.33 17.22 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.032 -0.267 . . . . 0.94 110.377 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.632 HG12 HD23 ' A' ' 23' ' ' LEU . 60.2 mt -57.41 -58.24 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.852 -0.613 . . . . 0.37 110.603 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.51 -27.25 69.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 1.73 111.405 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.0 tpt -75.01 -36.78 61.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.076 -0.511 . . . . 0.97 110.294 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.23 40.15 2.58 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.767 -0.73 . . . . 0.51 113.201 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -101.93 118.01 36.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.346 0.573 . . . . 2.27 110.921 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.13 22.5 11.76 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.592 -0.731 . . . . 1.78 112.078 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.1 m -76.56 148.29 37.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.295 -0.411 . . . . 1.16 110.13 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' HA ' ' HB2' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.61 81.58 7.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.186 0.517 . . . . 2.49 111.488 -179.159 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -82.45 114.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.939 -0.573 . . . . 0.66 109.662 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 6.6 t -79.81 135.09 26.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.073 -0.512 . . . . 0.37 110.29 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.504 HG23 HE21 ' A' ' 51' ' ' GLN . 27.9 m -116.8 107.24 14.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.083 -0.508 . . . . 0.33 109.914 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 2.3 mm-40 -102.16 121.65 42.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.746 0.307 . . . . 1.39 110.782 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 48' ' ' THR . 58.0 t -116.46 134.72 59.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.651 -0.704 . . . . 0.22 111.316 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' OG1' ' A' ' 48' ' ' THR . 4.4 p -119.74 140.26 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.721 -0.844 . . . . 0.95 108.721 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.473 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 46.1 tp60 -85.35 121.37 27.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.697 0.284 . . . . 2.06 111.198 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -142.17 72.91 1.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 1.73 110.203 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.5 -104.54 1.08 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.162 -0.775 . . . . 0.4 111.162 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.61 7.16 13.54 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.381 0.61 . . . . 0.43 109.358 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 34.4 t70 -100.89 108.53 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.114 -0.948 . . . . 1.36 108.996 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -106.86 132.98 52.21 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.097 -0.705 . . . . 1.0 109.097 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.565 ' OG1' HG12 ' A' ' 41' ' ' VAL . 70.1 p -99.71 130.72 45.95 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.979 -0.288 . . . . 0.56 110.922 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -111.11 100.51 9.16 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.66 -0.867 . . . . 0.42 108.66 178.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 38' ' ' THR . 5.2 m -101.03 111.34 23.52 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.08 -0.509 . . . . 0.35 110.671 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.504 HE21 HG23 ' A' ' 38' ' ' THR . 5.0 mp0 -100.53 117.37 34.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.477 -0.329 . . . . 1.62 110.197 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.434 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 93.4 m-70 -105.54 132.27 51.91 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.865 -0.42 . . . . 0.37 109.865 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -101.24 133.84 20.69 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.942 -0.572 . . . . 1.23 109.806 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.06 112.79 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.08 1.853 . . . . 0.46 111.752 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.76 22.11 67.93 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.961 -0.638 . . . . 0.46 112.489 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.31 -167.53 10.99 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.358 -0.925 . . . . 0.41 113.517 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.08 142.83 50.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.35 0.595 . . . . 3.34 112.167 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -96.9 159.71 14.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.825 -0.625 . . . . 0.39 110.109 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -139.47 108.8 6.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.36 -0.382 . . . . 0.49 110.005 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.6 m -113.44 129.93 56.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.052 0.39 . . . . 0.31 112.052 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -132.79 142.64 49.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.716 -0.476 . . . . 1.72 109.716 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.2 p -124.31 122.82 38.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.105 -0.702 . . . . 1.04 109.105 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -130.58 139.34 50.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.397 0.618 . . . . 0.88 112.509 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 46' ' ' ASP . 39.3 m -103.36 127.43 50.72 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.027 -0.988 . . . . 0.25 108.715 178.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.2 mm -55.39 127.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.058 0.224 . . . . 0.24 110.579 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t0 75.81 20.08 1.85 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.163 0.914 . . . . 1.1 110.433 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 25.2 tptt -135.12 146.15 48.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.502 -0.772 . . . . 1.59 110.279 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 36.4 mp0 -74.72 124.01 25.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.035 -0.529 . . . . 2.55 109.728 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -116.81 156.25 27.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.176 0.513 . . . . 0.31 112.178 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.16 122.85 35.96 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.304 -0.999 . . . . 1.95 108.304 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.594 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 8.9 mtt -127.41 166.08 18.58 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.432 0.634 . . . . 0.26 112.176 -178.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.672 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 22.6 tt0 -148.18 146.79 28.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.456 -1.247 . . . . 1.47 108.93 178.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.625 HG23 ' HE1' ' A' ' 79' ' ' PHE . 26.1 p -100.45 169.21 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.489 -0.56 . . . . 0.36 109.489 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.2 mtt -73.95 -0.57 16.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.222 0.534 . . . . 1.05 110.129 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.48 -8.21 61.26 Favored Glycine 0 N--CA 1.439 -1.144 0 N-CA-C 110.831 -0.908 . . . . 0.48 110.831 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.29 34.37 6.75 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 121.02 -0.609 . . . . 0.48 112.749 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.672 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 18.7 mtp180 -100.67 126.47 47.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.948 -0.148 . . . . 0.85 111.169 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -103.81 121.52 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.977 -0.749 . . . . 1.76 108.977 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.625 ' HE1' HG23 ' A' ' 73' ' ' THR . 45.6 p90 -155.61 176.39 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.027 0.441 . . . . 1.17 111.65 -178.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.26 145.55 51.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.761 -0.829 . . . . 2.55 108.761 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -155.69 159.6 39.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.24 111.51 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -101.08 130.04 47.05 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.126 -0.488 . . . . 0.33 110.297 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.0 t -114.26 139.66 38.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.219 -0.446 . . . . 0.19 110.209 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.447 ' HG3' HG13 ' A' ' 91' ' ' VAL . 26.6 pttt -130.2 -179.98 5.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.659 -0.497 . . . . 1.14 109.659 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mtt -127.51 135.2 50.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.696 0.284 . . . . 0.41 110.33 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -120.56 91.0 3.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.135 -0.484 . . . . 2.67 111.402 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.95 50.03 63.63 Favored Glycine 0 CA--C 1.516 0.147 0 C-N-CA 121.027 -0.606 . . . . 0.46 113.77 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.61 15.09 81.36 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.466 -0.873 . . . . 0.36 113.25 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -127.5 125.73 40.98 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.813 -0.81 . . . . 1.76 108.813 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 100' ' ' THR . 3.3 mt -78.35 122.71 33.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.819 0.342 . . . . 0.22 111.116 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.447 HG13 ' HG3' ' A' ' 84' ' ' LYS . 7.3 p -122.78 130.35 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 121.422 0.63 . . . . 0.25 110.588 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -109.14 138.41 45.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.627 -0.715 . . . . 0.25 110.508 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.43 125.99 39.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.236 0.541 . . . . 1.19 111.712 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 66.6 m-85 -148.8 156.87 41.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.289 -0.869 . . . . 1.27 110.975 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.86 114.55 4.0 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.281 1.987 . . . . 0.36 111.775 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.557 ' O ' ' HA ' ' A' ' 114' ' ' SER . 55.0 m-80 64.16 16.05 9.76 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.187 0.595 . . . . 1.5 111.478 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.53 ' HB3' ' HB2' ' A' ' 94' ' ' PHE . 3.7 t80 -133.37 130.85 39.35 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.623 -0.51 . . . . 1.31 109.623 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -126.98 105.87 8.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.826 -0.624 . . . . 1.09 109.507 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -110.71 118.34 35.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.535 -0.302 . . . . 0.67 111.766 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 33.0 p -128.45 130.69 47.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.003 -0.544 . . . . 0.31 110.477 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.41 130.38 56.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.046 -0.524 . . . . 0.26 109.964 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -151.96 168.09 26.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.178 0.513 . . . . 1.38 110.981 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.7 mm -109.81 123.86 66.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.241 -0.891 . . . . 0.37 110.165 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 m -130.79 103.42 6.57 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.099 0.476 . . . . 1.37 110.472 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.93 32.32 63.7 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.59 -0.732 . . . . 0.96 112.716 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.25 21.37 73.38 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.709 -0.758 . . . . 0.5 111.987 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.5 140.06 51.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.758 0.313 . . . . 1.22 110.428 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.2 tm? -85.9 118.06 25.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.852 -0.795 . . . . 0.82 108.852 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.14 105.94 16.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-O 121.485 0.659 . . . . 0.33 109.806 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -96.12 135.05 38.44 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.532 -0.758 . . . . 1.69 110.309 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.536 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.1 mp -113.52 128.47 70.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.136 -0.69 . . . . 0.37 109.136 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.9 m -123.59 103.67 8.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.874 -0.603 . . . . 0.37 110.099 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.701 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -92.2 123.68 35.72 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.214 -0.448 . . . . 0.27 110.094 179.208 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 62.8 m -133.16 106.58 7.67 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 121.118 0.485 . . . . 1.43 110.406 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.3 m 58.24 35.4 24.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.955 -1.02 . . . . 0.63 111.797 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.53 -36.75 4.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.64 -0.791 . . . . 0.46 113.528 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.67 119.68 19.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.863 0.363 . . . . 0.53 110.958 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.701 HG22 HG23 ' A' ' 113' ' ' THR . 57.5 t -95.53 110.12 23.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.97 111.105 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -97.88 128.16 44.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.958 -0.565 . . . . 1.22 109.714 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.536 ' HG2' HG13 ' A' ' 111' ' ' ILE . 52.2 mttt -119.23 141.69 48.69 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.706 0.289 . . . . 1.17 110.618 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -137.13 119.93 16.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.411 0.624 . . . . 2.48 109.888 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.81 132.84 43.06 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.44 -0.8 . . . . 0.43 109.88 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.6 m -134.65 131.81 38.21 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.941 0.401 . . . . 0.38 110.042 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.524 ' HB3' ' OE1' ' A' ' 9' ' ' GLU . 65.4 pttt -79.77 149.7 31.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.263 -0.426 . . . . 1.45 111.061 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.639 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -90.72 117.7 29.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.152 0.501 . . . . 1.45 110.245 179.314 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.541 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -133.17 169.75 21.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.449 -0.796 . . . . 0.35 109.774 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.405 0 CA-C-O 118.38 -0.819 . . . . 1.27 109.244 177.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.497 0.189 . . . . 1.24 111.132 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -64.02 144.67 56.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.26 111.711 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.03 169.0 12.42 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.585 -0.817 . . . . 0.21 111.948 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 142.36 29.39 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.833 -1.173 . . . . 1.54 107.833 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.544 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 82.7 m-85 -128.22 138.89 52.65 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.801 0.334 . . . . 1.29 110.645 -178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -119.71 152.02 37.83 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.155 -0.475 . . . . 1.41 109.953 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.49 121.53 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.804 0.69 . . . . 1.86 111.106 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 122' ' ' THR . 2.0 tt0 -117.65 -43.75 2.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 1.46 110.994 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -154.31 172.77 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.311 . . . . 1.01 111.469 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.32 153.22 27.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.751 -0.659 . . . . 1.72 110.292 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 30.1 tt0 -147.33 137.54 23.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.474 -0.784 . . . . 1.44 110.259 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 60.81 34.77 19.64 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.294 -0.866 . . . . 0.84 111.24 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -64.31 -58.46 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 1.39 111.541 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.438 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.1 m-20 -61.31 -39.03 88.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.3 111.488 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 4.2 m-20 -63.44 -40.33 96.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.193 0.521 . . . . 1.46 110.08 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 21' ' ' ILE . 58.8 t80 -66.59 -55.64 14.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.209 -0.905 . . . . 1.24 111.444 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 15' ' ' ASP . 30.7 m -59.22 -38.55 75.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.26 112.046 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -72.93 -28.23 62.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 1.18 111.084 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ASP . 37.2 tptt -76.54 -44.73 33.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.217 -0.447 . . . . 0.88 111.709 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.3 pt -77.03 -14.21 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.283 -0.417 . . . . 0.39 112.063 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.37 36.12 15.42 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.581 -0.819 . . . . 0.39 112.819 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.737 HD23 HG12 ' A' ' 28' ' ' ILE . 16.0 tp -70.94 133.53 86.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.16 -0.682 . . . . 0.31 109.16 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' O ' HG13 ' A' ' 28' ' ' ILE . 28.6 Cg_endo -65.9 140.2 59.85 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.148 1.899 . . . . 0.37 111.324 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.79 -34.92 60.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.39 110.999 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.72 -43.98 69.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 2.03 111.009 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -88.62 -29.97 19.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.104 -0.498 . . . . 0.94 110.776 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.737 HG12 HD23 ' A' ' 23' ' ' LEU . 67.9 mt -58.55 -58.28 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 0.37 110.403 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 16.4 mm-40 -67.65 -24.58 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 1.73 111.369 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.425 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 9.8 tpt -81.42 -22.79 37.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.889 -0.596 . . . . 0.97 111.471 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.93 19.71 15.29 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 119.94 -1.124 . . . . 0.51 113.471 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.537 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.3 ptp180 -107.29 131.46 54.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.289 0.545 . . . . 2.27 110.872 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.23 9.4 6.31 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.683 -0.689 . . . . 1.78 111.774 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.4 m -82.36 158.27 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.287 -0.415 . . . . 1.16 110.29 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -93.85 98.21 10.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.517 0.675 . . . . 2.49 112.01 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.17 123.2 55.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.513 -0.767 . . . . 0.66 109.472 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -94.68 130.38 43.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.115 -0.493 . . . . 0.37 110.347 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 50' ' ' THR . 40.1 m -110.78 105.88 14.88 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.874 -0.417 . . . . 0.33 109.874 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -98.5 111.12 23.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.888 0.375 . . . . 1.39 110.309 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 48' ' ' THR . 60.6 t -104.26 127.35 58.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 0.22 111.675 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.66 130.16 70.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.859 -0.793 . . . . 0.95 108.859 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.434 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 64.8 tt0 -90.01 121.81 32.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.153 0.501 . . . . 2.06 111.897 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -134.65 74.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.508 -0.769 . . . . 1.73 109.009 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.77 -101.88 1.15 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.657 -0.977 . . . . 0.4 110.657 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.51 10.9 12.77 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.942 -0.762 . . . . 0.43 108.942 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -106.44 111.7 24.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.875 -1.057 . . . . 1.36 109.715 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.2 135.67 51.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.052 0.453 . . . . 1.0 110.403 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 1.2 p -102.32 122.94 45.23 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.151 -0.477 . . . . 0.56 111.03 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -99.31 103.12 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.06 -0.718 . . . . 0.42 109.06 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.535 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.4 m -105.62 109.77 21.86 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.019 -0.537 . . . . 0.35 111.114 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -101.17 118.55 37.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.315 -0.402 . . . . 1.62 110.541 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -101.63 124.51 47.4 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.996 -0.547 . . . . 0.37 110.655 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 6.7 t80 -102.23 133.44 20.6 Favored Pre-proline 0 N--CA 1.443 -0.796 0 CA-C-N 115.95 -0.568 . . . . 1.23 109.577 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.493 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 48.3 Cg_endo -69.92 113.67 3.48 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.874 1.716 . . . . 0.46 111.392 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.42 28.67 73.87 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 121.263 -0.494 . . . . 0.46 113.514 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.22 -166.04 12.18 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.536 -0.84 . . . . 0.41 112.795 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 148.07 45.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.01 0.434 . . . . 3.34 111.212 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.5 t -97.81 155.93 16.82 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.372 -0.603 . . . . 0.39 109.372 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -132.99 108.14 8.71 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.721 -0.474 . . . . 0.49 109.721 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 m -122.61 120.47 33.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.274 -0.421 . . . . 0.31 111.478 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -125.03 131.91 53.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.326 -0.397 . . . . 1.72 110.17 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.3 p -107.45 123.42 48.38 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.35 -0.611 . . . . 1.04 109.35 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -134.76 144.44 47.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.571 0.7 . . . . 0.88 112.338 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 23.6 m -111.46 133.45 53.74 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.186 -0.915 . . . . 0.25 109.547 178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.89 129.48 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.655 0.264 . . . . 0.24 110.963 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 t70 73.4 19.79 3.35 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.207 1.003 . . . . 1.1 110.2 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HE3' ' HG3' ' A' ' 68' ' ' GLU . 34.8 tptt -136.64 144.34 43.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.7 -0.682 . . . . 1.59 110.626 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HG3' ' HE3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -69.84 146.32 51.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.171 -0.677 . . . . 2.55 109.171 177.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -137.64 149.4 46.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.905 0.383 . . . . 0.31 111.699 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.34 117.04 22.11 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.807 -1.183 . . . . 1.95 107.807 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.503 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 28.2 mtt -120.05 166.03 13.92 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.389 0.614 . . . . 0.26 112.196 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 3.1 tt0 -156.07 147.11 22.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.896 -1.047 . . . . 1.47 108.866 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.562 HG23 ' HE1' ' A' ' 79' ' ' PHE . 14.1 p -102.02 168.02 9.66 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 120.958 0.409 . . . . 0.36 109.913 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 43.4 mtt -68.66 -13.92 62.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.055 -0.521 . . . . 1.05 110.58 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.28 -12.1 71.04 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.798 -0.521 . . . . 0.48 111.798 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.91 52.3 1.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.146 -0.55 . . . . 0.48 112.853 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.579 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.5 mtp85 -114.06 120.69 41.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.204 -0.295 . . . . 0.85 110.204 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -93.25 121.65 34.84 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.539 -0.541 . . . . 1.76 109.539 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' HE1' HG23 ' A' ' 73' ' ' THR . 42.3 p90 -161.9 177.22 10.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.114 0.483 . . . . 1.17 111.71 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -140.98 141.22 34.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.57 -0.741 . . . . 2.55 109.692 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -146.99 162.16 39.34 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.131 -0.486 . . . . 0.24 111.399 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -100.73 129.95 46.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 0.33 110.203 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.4 t -110.77 144.38 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.443 -0.344 . . . . 0.19 110.643 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -135.74 176.53 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.721 -0.474 . . . . 1.14 109.721 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 mtt -128.0 132.85 49.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.618 0.246 . . . . 0.41 111.123 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.14 81.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.314 -0.403 . . . . 2.67 110.685 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.93 55.13 14.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.165 -0.54 . . . . 0.46 113.134 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.43 22.33 77.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.899 -0.667 . . . . 0.36 112.555 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -130.84 111.97 12.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.465 -0.568 . . . . 1.76 109.465 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 mt -72.83 121.83 24.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.22 110.77 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.91 136.29 61.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.283 0.563 . . . . 0.25 110.38 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.44 133.06 56.46 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.661 -0.7 . . . . 0.25 110.363 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -91.7 122.61 34.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.436 0.636 . . . . 1.19 111.755 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.483 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 69.7 m-85 -140.32 156.67 69.7 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.097 -0.956 . . . . 1.27 109.961 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -67.15 111.7 2.32 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 121.773 1.649 . . . . 0.36 111.878 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.455 ' O ' ' HA ' ' A' ' 114' ' ' SER . 3.4 t-20 62.83 20.01 11.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.636 -0.711 . . . . 1.5 110.854 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.516 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.7 t80 -138.19 126.67 23.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 1.31 109.577 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.46 ' O ' ' HA ' ' A' ' 112' ' ' SER . 0.2 OUTLIER -124.2 110.37 14.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.662 -0.699 . . . . 1.09 110.122 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -106.68 120.15 41.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.613 -0.267 . . . . 0.67 110.421 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.7 p -129.11 132.32 47.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.591 -0.277 . . . . 0.31 110.742 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HB2' ' HG2' ' A' ' 110' ' ' GLU . . . -122.42 128.2 50.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.412 -0.358 . . . . 0.26 110.96 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -146.37 172.27 13.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.055 0.455 . . . . 1.38 110.939 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.8 mm -111.47 110.74 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.294 -0.632 . . . . 0.37 109.294 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 72.7 m -119.05 105.05 11.04 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.716 -0.675 . . . . 1.37 110.408 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.06 30.71 58.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.951 -0.643 . . . . 0.96 112.288 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.39 15.55 79.76 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.58 -0.819 . . . . 0.5 112.446 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -125.8 144.95 50.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.588 0.194 . . . . 1.22 110.999 -179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.465 HD11 ' HB1' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -90.06 106.44 18.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.226 -0.657 . . . . 0.82 109.226 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -109.39 114.43 46.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.758 -0.655 . . . . 0.33 109.809 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HG2' ' HB2' ' A' ' 101' ' ' ALA . 50.6 mt-10 -102.57 128.81 49.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.814 -0.63 . . . . 1.69 110.38 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.564 HG13 ' HG2' ' A' ' 120' ' ' LYS . 3.8 mp -108.92 133.65 53.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.658 -0.701 . . . . 0.37 110.271 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 50.9 m -127.6 110.73 12.99 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.605 -0.517 . . . . 0.37 109.605 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.647 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -98.6 131.85 44.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.429 -0.35 . . . . 0.27 110.486 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 56.3 m -148.06 114.75 6.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.924 0.392 . . . . 1.43 110.309 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m 59.23 27.5 16.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.302 -0.863 . . . . 0.63 111.862 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 101.76 -20.37 46.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.46 113.12 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.0 t -82.21 120.75 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.908 0.354 . . . . 0.53 110.341 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.647 HG22 HG23 ' A' ' 113' ' ' THR . 51.8 t -98.11 107.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.042 -0.526 . . . . 0.97 110.856 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -92.79 123.19 35.89 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.691 -0.686 . . . . 1.22 110.123 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.564 ' HG2' HG13 ' A' ' 111' ' ' ILE . 23.1 mttt -121.38 141.16 51.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.863 0.363 . . . . 1.17 111.114 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.405 HH12 ' CD ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -147.52 117.7 7.32 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.206 0.526 . . . . 2.48 110.35 177.215 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 32.1 m -88.69 139.01 30.9 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.569 -0.742 . . . . 0.43 110.051 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.86 135.64 49.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.208 -0.451 . . . . 0.38 110.384 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 18.8 pttp -82.97 153.39 25.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.662 0.268 . . . . 1.45 110.968 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -94.85 127.6 40.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 1.45 110.975 -179.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.19 167.27 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.644 -0.707 . . . . 0.35 109.31 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 CA-C-O 118.379 -0.82 . . . . 1.27 109.935 178.38 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 N--CA 1.462 0.137 0 N-CA-C 112.15 0.426 . . . . 1.24 112.15 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.3 m -67.81 138.82 56.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.113 0.412 . . . . 0.26 112.113 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.82 169.19 11.87 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.705 -0.76 . . . . 0.21 112.173 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.507 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -95.22 142.84 27.17 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.003 -0.74 . . . . 1.54 109.003 178.49 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.596 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 91.4 m-85 -125.75 139.47 53.49 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.426 -0.352 . . . . 1.29 111.061 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -122.81 147.88 46.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.318 -0.401 . . . . 1.41 110.55 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.457 ' HB3' ' HA ' ' A' ' 35' ' ' LYS . 19.9 t80 -48.69 124.52 8.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.307 -0.86 . . . . 1.86 111.421 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -124.41 -51.54 1.74 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.468 -0.787 . . . . 1.46 109.902 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.411 ' HB2' ' HB ' ' A' ' 122' ' ' THR . 20.2 m -145.53 152.98 40.6 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.736 -0.666 . . . . 1.01 109.805 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -146.77 156.99 43.56 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.45 -0.574 . . . . 1.72 109.45 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -154.21 141.56 19.63 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.272 0.471 . . . . 1.44 112.272 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.66 35.99 6.66 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.03 -0.986 . . . . 0.84 112.186 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' O ' HG22 ' A' ' 18' ' ' VAL . 34.5 t80 -69.81 -56.52 6.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.96 -0.564 . . . . 1.39 111.245 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.514 ' HA ' HG22 ' A' ' 18' ' ' VAL . 2.0 m-20 -60.45 -41.12 93.43 Favored 'General case' 0 CA--C 1.517 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.3 112.072 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -38.69 92.14 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.201 0.524 . . . . 1.46 110.425 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.448 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 61.5 t80 -69.6 -52.16 28.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.358 -0.837 . . . . 1.24 110.897 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 15' ' ' ASP . 32.0 m -64.05 -39.42 85.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.0 -0.545 . . . . 0.26 111.597 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -67.27 -26.0 66.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.9 0.381 . . . . 1.18 110.578 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -80.77 -47.77 13.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.253 -0.43 . . . . 0.88 111.768 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.4 pt -73.93 -5.73 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 111.786 0.291 . . . . 0.39 111.786 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.73 35.18 46.68 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.844 -0.693 . . . . 0.39 113.168 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD12 ' HD2' ' A' ' 24' ' ' PRO . 26.5 tp -68.99 133.43 90.0 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.404 -0.591 . . . . 0.31 109.404 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.711 ' HD2' HD12 ' A' ' 23' ' ' LEU . 25.2 Cg_endo -64.17 142.14 78.99 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.35 2.033 . . . . 0.37 111.529 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.04 63.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.39 111.205 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -53.94 -42.57 68.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.195 -0.911 . . . . 2.03 111.317 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -88.08 -33.13 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.903 -0.319 . . . . 0.94 110.825 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.543 HG12 HD23 ' A' ' 23' ' ' LEU . 46.0 mt -57.06 -55.23 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.072 0.463 . . . . 0.37 110.828 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 52.0 mm-40 -68.28 -28.76 67.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.69 -0.686 . . . . 1.73 111.839 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.454 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.7 tpt -76.87 -28.76 55.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.12 -0.491 . . . . 0.97 111.426 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.03 23.57 20.92 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.204 -0.998 . . . . 0.51 113.975 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.2 ptp180 -110.87 135.36 51.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.685 0.743 . . . . 2.27 110.417 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 65.67 16.85 10.68 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.796 -0.638 . . . . 1.78 110.716 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.7 m -91.48 154.2 19.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.066 -0.515 . . . . 1.16 110.914 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -93.38 91.79 7.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.235 0.54 . . . . 2.49 111.761 -179.465 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 mp -90.31 136.16 24.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.819 -0.628 . . . . 0.66 109.412 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -104.95 132.41 51.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.681 -0.236 . . . . 0.37 110.905 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.759 ' HA ' ' O ' ' A' ' 50' ' ' THR . 73.4 m -115.25 110.19 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.441 -0.345 . . . . 0.33 110.285 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.507 ' HG2' ' HB2' ' A' ' 5' ' ' LYS . 51.9 mt-10 -101.44 117.41 34.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.882 0.372 . . . . 1.39 110.096 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 48' ' ' THR . 96.6 t -108.65 127.04 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.53 -0.759 . . . . 0.22 112.495 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.1 t -113.98 126.55 71.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.71 -0.848 . . . . 0.95 108.71 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.508 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 24.6 tt0 -89.39 102.91 15.58 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.268 0.47 . . . . 2.06 112.268 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.502 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 70.7 m-20 -109.58 72.4 0.8 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.303 -0.628 . . . . 1.73 109.303 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.04 -101.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 111.14 -0.784 . . . . 0.4 111.14 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' O ' HG12 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -109.29 5.22 23.46 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.206 -0.664 . . . . 0.43 109.206 178.477 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.504 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 15.4 t70 -105.47 111.28 23.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.274 -0.875 . . . . 1.36 110.35 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -107.34 133.25 52.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.969 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 61.9 p -95.95 134.68 38.67 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.922 0.391 . . . . 0.56 110.923 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -114.61 102.59 10.18 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.865 -0.791 . . . . 0.42 108.865 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.759 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.9 m -104.96 120.12 40.68 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.117 -0.492 . . . . 0.35 110.395 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -107.53 116.82 32.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.203 -0.295 . . . . 1.62 110.203 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -105.86 135.57 47.06 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.79 -0.448 . . . . 0.37 109.79 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.472 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 8.3 t80 -109.37 131.67 21.73 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 116.297 -0.41 . . . . 1.23 110.617 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.0 Cg_endo -63.13 114.27 2.39 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.31 2.007 . . . . 0.46 111.295 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.69 24.56 72.72 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.86 -0.686 . . . . 0.46 113.04 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.84 -171.7 16.37 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.101 -1.047 . . . . 0.41 113.484 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.23 147.91 46.42 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.536 0.569 . . . . 3.34 112.536 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 t -104.17 160.21 15.05 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.802 -0.814 . . . . 0.39 108.802 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.16 128.72 24.46 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.509 -0.314 . . . . 0.49 110.294 -178.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.442 HG23 HG23 ' A' ' 50' ' ' THR . 2.5 m -135.19 127.59 30.42 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.459 -0.496 . . . . 0.31 112.256 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -139.94 141.38 36.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.443 -0.577 . . . . 1.72 109.443 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.7 p -118.15 126.07 51.49 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.201 -0.666 . . . . 1.04 109.201 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.5 ' HA ' ' HB2' ' A' ' 69' ' ' ALA . 46.2 p90 -122.81 147.02 47.01 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.312 0.577 . . . . 0.88 111.703 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 65.8 m -111.76 125.74 54.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.268 -0.878 . . . . 0.25 109.599 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 45' ' ' ASN . 50.0 mm -53.27 128.28 12.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.648 0.261 . . . . 0.24 110.835 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.5 t70 73.89 18.48 3.31 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.289 -0.869 . . . . 1.1 110.22 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.523 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 40.7 tptt -137.86 150.51 47.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.214 -0.903 . . . . 1.59 110.021 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' LYS . 7.9 pt-20 -77.35 151.02 35.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.959 -0.756 . . . . 2.55 108.959 177.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 63' ' ' PHE . . . -137.42 152.64 49.83 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.025 0.379 . . . . 0.31 112.025 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.57 113.6 21.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.276 -0.875 . . . . 1.95 109.0 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.61 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.4 mtt -120.41 168.74 10.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.486 0.66 . . . . 0.26 112.606 -178.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.731 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.4 tt0 -154.75 140.23 17.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.043 -0.981 . . . . 1.47 109.095 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.621 HG23 ' HE1' ' A' ' 79' ' ' PHE . 21.1 p -95.0 169.95 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.97 0.414 . . . . 0.36 110.403 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.4 mtt -66.91 -13.24 61.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 1.05 110.143 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.02 -7.54 73.77 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.781 -0.645 . . . . 0.48 111.675 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.93 53.68 2.64 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.095 -0.574 . . . . 0.48 111.943 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.731 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 10.6 mtp180 -118.12 123.82 46.51 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.302 -0.159 . . . . 0.85 111.057 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -96.55 122.3 39.31 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.445 -0.576 . . . . 1.76 109.445 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.621 ' HE1' HG23 ' A' ' 73' ' ' THR . 45.2 p90 -155.43 168.87 25.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.045 0.45 . . . . 1.17 111.345 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 69' ' ' ALA . 2.1 mtpp -132.62 136.85 46.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.711 -0.677 . . . . 2.55 109.29 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -143.94 160.41 40.88 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.282 -0.417 . . . . 0.24 111.438 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -97.45 131.13 44.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.875 -0.602 . . . . 0.33 109.752 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.0 t -115.04 142.96 25.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.973 -0.38 . . . . 0.19 109.973 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' CG ' HG13 ' A' ' 91' ' ' VAL . 21.7 pttt -133.99 175.75 9.19 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.065 -0.346 . . . . 1.14 110.065 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mtt -127.73 118.08 23.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.579 -0.526 . . . . 0.41 109.579 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.529 ' HG3' HG11 ' A' ' 91' ' ' VAL . 1.4 mt-10 -125.2 104.4 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.403 -0.362 . . . . 2.67 110.772 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.35 37.42 47.81 Favored Glycine 0 CA--C 1.516 0.105 0 C-N-CA 121.219 -0.515 . . . . 0.46 112.475 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.25 27.8 71.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.504 -0.855 . . . . 0.36 111.774 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -131.07 127.12 37.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.151 -0.314 . . . . 1.76 110.151 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.48 HG21 ' CE1' ' A' ' 63' ' ' PHE . 1.3 mt -80.38 110.15 15.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.719 -0.474 . . . . 0.22 109.719 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.529 HG11 ' HG3' ' A' ' 86' ' ' GLU . 3.2 p -115.98 134.96 57.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.196 0.522 . . . . 0.25 111.003 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.88 142.89 45.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.711 -0.677 . . . . 0.25 110.421 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -102.76 123.63 46.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.173 0.511 . . . . 1.19 111.709 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.514 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 80.3 m-85 -138.88 157.2 72.07 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.144 -0.935 . . . . 1.27 109.66 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.37 112.54 2.38 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 121.554 1.503 . . . . 0.36 111.259 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.566 ' O ' ' HA ' ' A' ' 114' ' ' SER . 61.6 t30 65.52 12.01 7.86 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.021 -0.536 . . . . 1.5 111.356 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.7 t80 -134.3 123.02 23.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.437 -0.579 . . . . 1.31 109.437 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.7 t60 -121.01 117.13 26.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.8 -0.636 . . . . 1.09 109.34 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 91' ' ' VAL . 4.5 t60 -112.24 128.42 56.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.684 -0.235 . . . . 0.67 110.823 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.0 p -134.83 130.3 35.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.391 -0.368 . . . . 0.31 110.368 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.83 136.59 53.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.463 -0.335 . . . . 0.26 110.328 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -154.52 175.25 13.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.942 0.401 . . . . 1.38 110.841 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 32.6 mm -117.55 116.99 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.37 109.607 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.8 m -128.96 108.01 10.07 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.994 -0.548 . . . . 1.37 110.546 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.9 28.83 55.95 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.792 -0.64 . . . . 0.96 112.042 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.45 22.15 73.59 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.856 -0.688 . . . . 0.5 112.284 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -133.62 151.02 51.6 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.005 0.431 . . . . 1.22 110.409 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.478 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.6 tm? -89.96 121.16 31.8 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.163 -0.926 . . . . 0.82 109.841 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.3 p -122.66 122.05 65.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.075 0.464 . . . . 0.33 109.981 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -108.25 134.45 51.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 1.69 110.12 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.11 130.45 72.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.738 -0.664 . . . . 0.37 109.94 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 15.1 m -126.44 115.49 19.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.101 -0.499 . . . . 0.37 110.406 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.598 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -101.24 130.06 47.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.249 -0.432 . . . . 0.27 110.844 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 73.2 m -145.71 114.68 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.788 -0.449 . . . . 1.43 109.788 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 m 59.5 25.84 14.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.661 -0.699 . . . . 0.63 111.475 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 99.18 -10.45 61.7 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.554 -0.831 . . . . 0.46 112.685 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 113' ' ' THR . 57.8 t -86.02 116.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.828 0.314 . . . . 0.53 110.402 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.598 HG22 HG23 ' A' ' 113' ' ' THR . 92.6 t -94.87 105.21 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.252 -0.431 . . . . 0.97 110.618 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -94.71 131.06 40.94 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.708 -0.678 . . . . 1.22 109.215 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -130.02 146.84 51.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.933 0.397 . . . . 1.17 111.905 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 14.1 ptt-85 -144.98 136.94 25.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.532 -0.758 . . . . 2.48 109.917 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 10' ' ' SER . 58.2 m -114.07 121.37 43.61 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.778 -0.646 . . . . 0.43 110.332 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 18.5 m -118.46 132.24 56.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.975 0.417 . . . . 0.38 110.515 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 18.4 pttm -76.49 159.04 30.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 1.45 110.44 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.18 129.11 46.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 1.45 111.494 -178.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -146.43 167.51 7.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.321 -0.854 . . . . 0.35 109.099 179.117 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.098 -0.953 . . . . 1.27 109.484 178.751 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 CA--C 1.528 0.115 0 N-CA-C 111.914 0.338 . . . . 1.24 111.914 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.504 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -61.47 140.79 58.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.513 0.56 . . . . 0.26 112.513 -178.839 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.425 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 135.5 164.65 10.45 Favored Glycine 0 N--CA 1.438 -1.205 0 C-N-CA 120.533 -0.841 . . . . 0.21 112.932 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 140.41 29.75 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.125 -1.065 . . . . 1.54 108.125 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.654 ' CE2' ' HG2' ' A' ' 125' ' ' LYS . 88.7 m-85 -126.52 147.17 49.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.681 0.277 . . . . 1.29 111.156 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -130.75 152.81 49.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.447 -0.342 . . . . 1.41 110.111 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 6.9 t80 -47.54 116.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.111 0.882 . . . . 1.86 111.816 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -114.77 -40.53 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 1.46 110.407 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.55 169.48 24.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.374 -0.376 . . . . 1.01 111.06 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -156.89 152.47 26.8 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.065 -0.516 . . . . 1.72 110.03 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -148.38 136.78 21.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.003 -0.544 . . . . 1.44 109.772 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 63.54 34.57 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.996 0.81 . . . . 0.84 111.068 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -63.36 -59.25 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.39 111.825 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.509 ' HA ' HG22 ' A' ' 18' ' ' VAL . 25.8 m-20 -60.4 -38.6 84.49 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.328 -0.396 . . . . 1.3 111.565 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -40.81 97.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 1.46 110.137 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.494 ' O ' HG12 ' A' ' 21' ' ' ILE . 57.5 t80 -66.19 -53.07 41.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.612 -0.722 . . . . 1.24 111.053 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.509 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.3 m -62.23 -37.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.973 -0.558 . . . . 0.26 111.778 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER -74.45 -26.99 60.39 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.775 -0.37 . . . . 1.18 111.585 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -76.56 -44.57 34.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.385 -0.371 . . . . 0.88 111.217 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.4 pt -76.19 -13.27 14.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.399 -0.364 . . . . 0.39 111.483 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.62 32.42 30.49 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.95 -0.643 . . . . 0.39 112.892 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.709 HD23 HG12 ' A' ' 28' ' ' ILE . 16.6 tp -67.37 134.66 93.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.591 -0.522 . . . . 0.31 109.591 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.43 ' O ' HG13 ' A' ' 28' ' ' ILE . 27.5 Cg_endo -63.61 139.04 67.72 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.052 1.835 . . . . 0.37 111.528 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.99 -37.48 64.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.926 -0.579 . . . . 0.39 111.485 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 30' ' ' MET . 18.5 t70 -56.94 -40.32 76.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.713 -0.676 . . . . 2.03 111.154 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -87.48 -30.0 20.96 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.474 -0.33 . . . . 0.94 110.441 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.709 HG12 HD23 ' A' ' 23' ' ' LEU . 61.8 mt -60.19 -54.95 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 0.37 109.886 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 43.0 mm-40 -65.31 -33.94 77.15 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.139 -0.937 . . . . 1.73 110.103 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.528 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.3 tpt -65.42 -40.04 92.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.196 -0.911 . . . . 0.97 111.371 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.5 25.68 22.31 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 115.419 0.927 . . . . 0.51 115.419 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.9 ptp180 -104.79 128.6 52.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 118.141 0.971 . . . . 2.27 111.05 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.17 21.5 12.57 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.301 -0.863 . . . . 1.78 110.814 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.1 m -89.96 141.64 28.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.782 -0.645 . . . . 1.16 110.101 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' HG2' ' HG3' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -72.64 85.62 1.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.176 0.512 . . . . 2.49 111.894 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mm -83.27 126.31 40.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.777 -0.647 . . . . 0.66 109.972 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 2.8 t -98.0 130.56 46.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.777 -0.453 . . . . 0.37 109.777 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.753 ' HA ' ' O ' ' A' ' 50' ' ' THR . 24.8 m -118.86 104.82 10.9 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 123.487 0.492 . . . . 0.33 110.024 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -94.22 113.98 26.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.15 -0.315 . . . . 1.39 110.15 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 48' ' ' THR . 60.2 t -107.46 121.92 61.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.543 -0.753 . . . . 0.22 111.985 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.64 134.36 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.433 -0.951 . . . . 0.95 108.433 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.504 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 6.3 tt0 -99.72 112.36 24.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.216 0.531 . . . . 2.06 111.128 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -126.79 78.86 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.731 -0.668 . . . . 1.73 109.891 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.36 -90.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.534 -0.626 . . . . 0.4 111.534 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.75 12.39 5.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.375 0.607 . . . . 0.43 109.885 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 36.7 t70 -106.08 110.91 23.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.095 -0.957 . . . . 1.36 109.61 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.402 ' CE2' ' HG3' ' A' ' 42' ' ' GLN . 77.7 m-85 -106.67 134.17 50.22 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.056 0.455 . . . . 1.0 110.086 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 43.3 p -95.81 135.3 37.7 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.904 -0.589 . . . . 0.56 111.03 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -115.99 100.95 8.33 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.821 -0.807 . . . . 0.42 108.821 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.753 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.1 m -105.89 117.89 35.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.56 -0.746 . . . . 0.35 110.067 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.464 ' NE2' HG23 ' A' ' 38' ' ' THR . 4.0 mp0 -105.62 116.76 32.49 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.945 -0.391 . . . . 1.62 109.945 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.511 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 83.2 m-70 -106.56 123.45 48.12 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.034 0.445 . . . . 0.37 109.891 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.528 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 5.9 t80 -99.39 124.73 43.66 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 115.355 -0.838 . . . . 1.23 110.748 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 28.0 Cg_endo -61.77 115.27 2.69 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.464 2.11 . . . . 0.46 112.188 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.89 22.77 75.82 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.742 -0.663 . . . . 0.46 113.126 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.14 -165.69 11.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.155 -1.021 . . . . 0.41 113.303 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.421 ' NH1' HG23 ' A' ' 59' ' ' THR . 0.2 OUTLIER -70.32 147.21 49.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.061 0.458 . . . . 3.34 111.9 -178.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.1 t -102.54 157.31 17.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.008 -0.542 . . . . 0.39 109.771 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.421 HG23 ' NH1' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -135.05 132.42 38.21 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.741 -0.466 . . . . 0.49 109.741 -179.575 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -141.27 138.42 33.21 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.016 -0.427 . . . . 0.31 111.823 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -150.33 156.53 41.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 1.72 109.373 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.7 p -130.83 132.26 45.11 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.55 -0.537 . . . . 1.04 109.55 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -132.52 138.53 47.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.515 0.674 . . . . 0.88 112.321 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.509 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 57.5 m -104.82 130.47 52.93 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.167 -0.924 . . . . 0.25 108.806 178.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mm -56.11 125.98 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.445 -0.343 . . . . 0.24 111.121 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t0 74.52 22.39 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.117 0.886 . . . . 1.1 109.944 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.509 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 42.9 tptt -138.22 136.87 36.99 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.425 -0.807 . . . . 1.59 110.675 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -66.95 138.05 56.98 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.48 -0.563 . . . . 2.55 109.48 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.07 154.4 47.49 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.711 0.634 . . . . 0.31 112.711 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.29 118.11 26.5 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.12 -0.945 . . . . 1.95 108.606 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.601 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 10.3 mtt -123.14 169.6 11.06 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.483 0.658 . . . . 0.26 111.892 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.696 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 22.6 tt0 -153.67 138.48 17.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.704 -1.135 . . . . 1.47 108.802 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.662 HG23 ' HE1' ' A' ' 79' ' ' PHE . 32.3 p -89.65 171.24 9.81 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.362 -0.607 . . . . 0.36 109.362 178.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.4 ttm -76.68 -3.78 39.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.032 0.444 . . . . 1.05 110.27 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.34 -6.7 62.62 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.849 -0.9 . . . . 0.48 110.849 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.97 26.97 9.83 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.891 -0.671 . . . . 0.48 113.297 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.696 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 15.4 mtp180 -97.05 120.63 37.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.291 0.546 . . . . 0.85 110.963 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.92 129.46 46.78 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.704 -0.85 . . . . 1.76 108.704 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.662 ' HE1' HG23 ' A' ' 73' ' ' THR . 35.3 p90 -158.66 176.79 11.94 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.911 0.337 . . . . 1.17 111.911 -177.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.26 137.65 50.11 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.427 -0.583 . . . . 2.55 109.427 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.6 161.65 42.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.567 -0.288 . . . . 0.24 110.935 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.76 140.42 33.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.933 0.397 . . . . 0.33 110.657 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.57 135.18 64.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.435 . . . . 0.19 109.841 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.425 ' CG ' HG13 ' A' ' 91' ' ' VAL . 19.4 pttt -127.52 177.62 6.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.844 -0.428 . . . . 1.14 109.844 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.7 mtt -129.07 141.29 51.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.692 0.282 . . . . 0.41 110.757 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.48 104.08 6.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.856 -0.611 . . . . 2.67 110.585 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.14 34.95 90.72 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.176 -0.535 . . . . 0.46 113.311 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.43 15.11 66.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.594 -0.812 . . . . 0.36 112.54 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.443 ' HD2' ' CD ' ' A' ' 102' ' ' GLU . 2.8 mtmp? -120.52 125.2 47.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.961 -0.755 . . . . 1.76 108.961 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 100' ' ' THR . 2.3 mt -80.14 119.77 30.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 116.108 -0.496 . . . . 0.22 111.55 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG13 ' CG ' ' A' ' 84' ' ' LYS . 6.6 p -120.33 129.2 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.285 0.564 . . . . 0.25 110.951 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.59 141.67 36.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.795 -0.639 . . . . 0.25 110.219 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -96.94 122.58 40.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.073 0.463 . . . . 1.19 111.488 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 71.1 m-85 -146.11 155.05 51.0 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.3 -0.864 . . . . 1.27 109.721 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -66.94 111.56 2.23 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.017 1.811 . . . . 0.36 111.401 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.69 ' O ' ' HA ' ' A' ' 114' ' ' SER . 3.0 t-20 63.04 11.28 5.05 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.922 -0.581 . . . . 1.5 111.866 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.554 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.2 t80 -125.9 127.42 45.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.95 -0.759 . . . . 1.31 108.95 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.465 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.3 t60 -126.57 109.45 12.14 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.921 -0.581 . . . . 1.09 109.892 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -105.32 119.1 38.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.492 -0.322 . . . . 0.67 110.367 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 26.5 p -126.11 129.65 49.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.433 -0.348 . . . . 0.31 110.646 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.68 135.65 54.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.123 -0.49 . . . . 0.26 110.282 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.443 ' CD ' ' HD2' ' A' ' 89' ' ' LYS . 2.8 pt-20 -151.92 171.18 18.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.952 0.406 . . . . 1.38 110.763 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.5 mm -108.43 122.7 63.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.379 -0.828 . . . . 0.37 109.179 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.3 m -136.0 99.63 4.2 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.199 0.523 . . . . 1.37 110.351 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.39 35.88 40.85 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.523 -0.762 . . . . 0.96 111.68 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.37 30.21 71.49 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.251 -0.739 . . . . 0.5 111.251 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -135.08 146.79 49.25 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.758 0.314 . . . . 1.22 110.713 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.57 HD12 ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -92.37 113.71 26.06 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.054 -0.721 . . . . 0.82 109.054 179.211 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 p -113.99 112.37 39.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.45 -0.574 . . . . 0.33 109.45 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.57 ' HG3' HD12 ' A' ' 108' ' ' LEU . 23.3 mt-10 -103.04 131.96 49.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.593 -0.731 . . . . 1.69 110.735 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.496 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.6 mp -115.36 127.39 72.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.445 -0.798 . . . . 0.37 109.276 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 13.4 m -125.2 106.1 9.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.262 -0.427 . . . . 0.37 110.553 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.554 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -94.13 137.07 33.74 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.149 -0.478 . . . . 0.27 110.33 179.475 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.69 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 60.3 p -150.15 113.48 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.27 0.356 . . . . 1.43 110.821 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.1 m 54.87 34.0 21.12 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.649 -0.705 . . . . 0.63 112.362 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.43 -31.7 8.34 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.73 -0.748 . . . . 0.46 113.214 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.01 126.34 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.85 0.325 . . . . 0.53 110.417 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.2 p -108.51 107.38 22.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.569 0.699 . . . . 0.97 111.164 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.417 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 30.9 t80 -89.1 135.85 33.34 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.487 -0.779 . . . . 1.22 109.842 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.496 ' HG2' HG13 ' A' ' 111' ' ' ILE . 15.5 mtpt -133.03 139.69 47.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.523 -0.308 . . . . 1.17 110.762 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.31 130.89 17.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.119 0.485 . . . . 2.48 110.569 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.7 m -106.01 134.95 48.32 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.703 -0.681 . . . . 0.43 109.76 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.2 m -124.62 137.68 54.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.002 0.43 . . . . 0.38 110.702 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 64.8 pttt -78.26 155.63 30.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.728 -0.669 . . . . 1.45 110.777 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.654 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 123.1 43.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.187 0.518 . . . . 1.45 110.393 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.561 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -141.11 168.84 15.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.547 -0.751 . . . . 0.35 109.163 179.176 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.254 -0.879 . . . . 1.27 109.531 178.253 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 . . . . . 0 CA--C 1.527 0.064 0 N-CA-C 111.466 0.172 . . . . 1.24 111.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.504 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.6 m -60.56 144.58 51.25 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.061 0.458 . . . . 0.26 111.916 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.491 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 128.89 175.71 14.16 Favored Glycine 0 N--CA 1.438 -1.191 0 C-N-CA 120.724 -0.75 . . . . 0.21 112.045 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -99.95 142.26 31.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.858 -0.793 . . . . 1.54 108.858 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.561 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 98.5 m-85 -123.96 150.36 44.86 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.136 -0.32 . . . . 1.29 110.136 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.431 ' HB2' HD11 ' A' ' 126' ' ' ILE . 1.0 OUTLIER -133.52 147.62 51.61 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.343 0.402 . . . . 1.41 110.347 179.274 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 3.4 t80 -51.58 114.84 1.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.061 0.85 . . . . 1.86 110.743 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -105.46 -53.36 2.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.978 0.418 . . . . 1.46 110.402 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m -154.53 160.6 41.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.13 -0.486 . . . . 1.01 110.83 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' A' ' 14' ' ' TYR . 3.9 p-10 -147.24 149.59 33.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.154 0.502 . . . . 1.72 110.846 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -136.01 142.65 44.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.973 -0.558 . . . . 1.44 110.474 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.04 37.61 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.199 -0.91 . . . . 0.84 111.641 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.505 ' HB2' ' OD2' ' A' ' 11' ' ' ASP . 63.0 t80 -64.42 -61.71 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.712 -0.222 . . . . 1.39 111.337 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.03 -36.65 70.71 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.933 0.397 . . . . 1.3 110.806 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.96 -46.23 78.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.903 -0.59 . . . . 1.46 110.578 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.504 ' O ' HG12 ' A' ' 21' ' ' ILE . 48.7 t80 -64.93 -52.97 53.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.003 -0.544 . . . . 1.24 111.518 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 14' ' ' TYR . 34.5 m -61.47 -35.24 65.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.24 0.459 . . . . 0.26 112.24 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.62 -25.23 49.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.932 0.396 . . . . 1.18 110.619 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -78.49 -45.1 22.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.843 -0.617 . . . . 0.88 111.671 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 17' ' ' PHE . 39.2 pt -75.11 -17.62 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.455 -0.339 . . . . 0.39 111.547 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.75 29.33 16.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.264 -0.97 . . . . 0.39 112.686 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.762 HD12 ' HD2' ' A' ' 24' ' ' PRO . 26.4 tp -64.71 137.37 97.12 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.554 -0.536 . . . . 0.31 109.554 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.762 ' HD2' HD12 ' A' ' 23' ' ' LEU . 26.6 Cg_endo -63.14 136.22 54.94 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.248 1.965 . . . . 0.37 111.976 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.04 -39.09 65.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.661 -0.7 . . . . 0.39 111.427 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.3 -45.97 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.09 -0.959 . . . . 2.03 111.791 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -87.99 -23.13 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.871 -0.332 . . . . 0.94 111.679 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.648 HG12 HD23 ' A' ' 23' ' ' LEU . 19.5 mt -59.4 -57.07 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 123.258 0.349 . . . . 0.37 111.263 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 25.9 mt-10 -72.84 -31.2 64.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.076 -0.511 . . . . 1.73 110.845 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.68 -29.48 66.93 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.976 -0.556 . . . . 0.97 111.189 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.04 27.26 11.09 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.859 -0.686 . . . . 0.51 112.827 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 31.3 ptt180 -105.78 135.38 47.31 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.24 -0.282 . . . . 2.27 110.24 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.27 22.44 12.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.813 -0.63 . . . . 1.78 110.709 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 36' ' ' ILE . 25.6 p -89.67 160.9 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.685 -0.688 . . . . 1.16 110.562 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.91 98.84 11.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.386 0.613 . . . . 2.49 111.862 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.519 HD11 ' SG ' ' A' ' 34' ' ' CYS . 24.6 mm -95.46 124.97 48.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.809 -0.632 . . . . 0.66 110.43 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.6 t -99.5 129.87 49.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.808 -0.441 . . . . 0.37 109.808 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.757 ' HA ' ' O ' ' A' ' 50' ' ' THR . 7.4 m -114.53 108.76 17.28 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.422 -0.354 . . . . 0.33 110.451 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -96.62 117.19 30.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 110.012 -0.366 . . . . 1.39 110.012 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 48' ' ' THR . 78.0 t -112.0 122.41 66.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.22 110.85 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.462 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 94.4 t -110.08 132.31 58.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.155 -0.683 . . . . 0.95 109.155 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.504 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 4.3 tp-100 -82.42 116.01 21.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.136 0.421 . . . . 2.06 112.136 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 84.9 m-20 -129.45 70.13 1.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.976 -0.556 . . . . 1.73 109.732 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.04 -92.41 0.14 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.006 -0.616 . . . . 0.4 111.817 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.56 0.23 10.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.236 0.541 . . . . 0.43 109.711 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 29.7 t70 -100.89 108.49 20.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.696 -0.684 . . . . 1.36 109.908 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -103.28 130.05 50.43 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.709 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.9 OUTLIER -92.28 125.33 36.9 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.924 -0.58 . . . . 0.56 110.214 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -110.31 103.13 11.76 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.478 -0.564 . . . . 0.42 109.478 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.757 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.9 m -103.85 132.61 49.94 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.198 -0.455 . . . . 0.35 110.813 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -115.74 115.91 27.15 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.336 -0.616 . . . . 1.62 109.336 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.4 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 88.7 m-70 -103.77 126.06 50.65 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.077 0.465 . . . . 0.37 110.965 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.591 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 3.0 t80 -105.57 125.61 32.93 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 115.325 -0.852 . . . . 1.23 109.256 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.9 Cg_endo -61.94 112.85 1.63 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.345 2.03 . . . . 0.46 111.775 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.88 29.95 76.69 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.919 -0.582 . . . . 0.46 112.478 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.31 -166.74 12.67 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.022 -1.085 . . . . 0.41 113.826 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.89 152.53 31.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.615 -0.793 . . . . 3.34 111.218 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.2 t -119.53 158.13 26.93 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 120.8 0.333 . . . . 0.39 110.12 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.5 m -139.19 128.93 24.72 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.19 -0.459 . . . . 0.49 110.128 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 m -133.61 118.97 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.774 0.321 . . . . 0.31 111.466 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -122.4 146.07 47.7 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.202 0.525 . . . . 1.72 110.777 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 p -126.15 121.04 31.71 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.603 -0.726 . . . . 1.04 109.181 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.431 ' CE1' HG21 ' A' ' 90' ' ' ILE . 53.6 p90 -129.34 142.75 50.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.167 0.508 . . . . 0.88 111.693 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.497 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 76.2 m -108.45 127.39 53.87 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.369 -0.832 . . . . 0.25 108.967 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.8 mm -55.0 126.57 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.646 0.26 . . . . 0.24 110.985 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t0 75.11 22.56 1.75 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.199 0.937 . . . . 1.1 110.616 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.6 tptt -136.61 144.13 43.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.518 -0.765 . . . . 1.59 110.676 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.8 125.53 27.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.771 -0.826 . . . . 2.55 108.771 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.93 163.59 16.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.197 0.522 . . . . 0.31 112.332 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.28 122.18 38.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.924 -1.034 . . . . 1.95 108.561 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 11.3 mtt -126.31 167.45 15.47 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.515 0.674 . . . . 0.26 112.592 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.699 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 52.4 tt0 -156.39 141.08 16.96 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.467 -1.242 . . . . 1.47 108.705 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.607 HG23 ' HE1' ' A' ' 79' ' ' PHE . 22.6 p -87.46 -176.71 5.7 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.385 -0.598 . . . . 0.36 109.385 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.5 mtp -83.3 -3.88 57.89 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.995 -0.743 . . . . 1.05 108.995 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.8 -7.05 63.2 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 111.233 -0.747 . . . . 0.48 111.233 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.86 29.06 12.28 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.216 -0.516 . . . . 0.48 112.844 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.699 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 29.0 mtp180 -93.57 122.99 36.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.65 0.225 . . . . 0.85 110.792 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -98.75 124.17 43.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.79 0.328 . . . . 1.76 110.441 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.607 ' HE1' HG23 ' A' ' 73' ' ' THR . 39.3 p90 -155.29 173.35 16.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 1.17 111.216 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.72 143.74 50.96 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.32 -0.622 . . . . 2.55 109.32 179.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -155.38 162.09 40.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.686 0.279 . . . . 0.24 110.711 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.43 129.84 50.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.929 -0.397 . . . . 0.33 109.929 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.53 144.9 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.534 -0.303 . . . . 0.19 110.615 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.455 ' CG ' HG13 ' A' ' 91' ' ' VAL . 6.8 pttt -134.41 -179.23 5.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.156 -0.313 . . . . 1.14 110.156 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 mtt -131.03 130.53 43.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.716 -0.22 . . . . 0.41 110.695 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -121.32 93.15 3.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.403 -0.362 . . . . 2.67 110.617 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.37 50.08 65.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.983 -0.627 . . . . 0.46 113.107 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.63 17.75 78.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.858 -0.687 . . . . 0.36 113.209 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -122.84 119.51 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.866 -0.42 . . . . 1.76 109.866 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.431 HG21 ' CE1' ' A' ' 63' ' ' PHE . 1.8 mt -78.64 107.79 11.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.769 -0.456 . . . . 0.22 109.769 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.455 HG13 ' CG ' ' A' ' 84' ' ' LYS . 2.5 p -113.13 135.05 53.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.223 0.535 . . . . 0.25 110.997 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.45 145.41 44.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.705 -0.68 . . . . 0.25 109.772 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -103.08 124.05 47.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.385 . . . . 1.19 111.858 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 97' ' ' TYR . 89.4 m-85 -140.77 155.62 69.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.4 -0.818 . . . . 1.27 110.406 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.61 115.8 4.41 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.375 2.05 . . . . 0.36 111.831 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 114' ' ' SER . 56.1 t30 68.17 9.04 6.95 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.565 0.698 . . . . 1.5 110.806 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.1 t80 -136.39 125.62 24.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.92 -0.582 . . . . 1.31 109.803 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.566 ' O ' ' HA ' ' A' ' 112' ' ' SER . 10.0 t60 -121.11 123.48 42.43 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.816 -0.809 . . . . 1.09 108.816 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -123.56 119.27 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.972 0.415 . . . . 0.67 111.134 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.0 p -127.95 128.57 45.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.884 -0.598 . . . . 0.31 110.864 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.63 130.02 56.18 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.361 -0.607 . . . . 0.26 109.361 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -153.17 172.84 16.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.084 0.469 . . . . 1.38 111.25 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.9 mm -109.63 122.24 63.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.151 -0.931 . . . . 0.37 109.613 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.6 m -137.27 113.83 10.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.233 -0.44 . . . . 1.37 110.024 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.27 28.12 64.63 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.052 -0.819 . . . . 0.96 111.052 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.74 25.76 73.14 Favored Glycine 0 C--N 1.332 0.338 0 N-CA-C 111.655 -0.578 . . . . 0.5 111.655 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -135.69 153.36 51.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.888 0.375 . . . . 1.22 111.24 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 1.4 tm? -91.14 118.15 30.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.605 -0.725 . . . . 0.82 109.083 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.8 115.37 46.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.2 0.524 . . . . 0.33 110.395 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.431 ' HG3' ' CD1' ' A' ' 108' ' ' LEU . 62.6 mt-10 -101.57 125.54 48.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.891 -0.595 . . . . 1.69 109.922 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.444 HG13 ' HG2' ' A' ' 120' ' ' LYS . 5.1 mp -109.62 127.59 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.605 -0.725 . . . . 0.37 109.379 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 9.7 m -125.17 115.09 19.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.949 -0.569 . . . . 0.37 110.239 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.773 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -102.16 130.47 48.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.652 -0.249 . . . . 0.27 110.622 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 45.0 m -146.99 113.29 5.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 1.43 110.495 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.3 m 55.3 38.23 30.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.345 -0.843 . . . . 0.63 112.646 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.81 -22.34 39.82 Favored Glycine 0 C--N 1.328 0.134 0 C-N-CA 120.621 -0.799 . . . . 0.46 113.807 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.1 t -85.26 120.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.299 0.55 . . . . 0.53 110.727 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.773 HG22 HG23 ' A' ' 113' ' ' THR . 62.0 t -98.48 105.92 18.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.594 -0.73 . . . . 0.97 111.045 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -90.93 130.54 36.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.393 -0.821 . . . . 1.22 109.133 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.444 ' HG2' HG13 ' A' ' 111' ' ' ILE . 17.5 mtpt -130.81 124.37 31.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.087 0.47 . . . . 1.17 111.593 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -124.76 127.7 47.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.729 -0.669 . . . . 2.48 110.416 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.0 m -105.21 132.9 50.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.774 -0.648 . . . . 0.43 109.852 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -128.24 137.66 52.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.351 -0.386 . . . . 0.38 110.515 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 16.0 pttm -83.16 158.1 22.49 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.947 -0.57 . . . . 1.45 109.722 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.491 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -104.84 121.54 43.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.084 0.468 . . . . 1.45 110.581 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.431 HD11 ' HB2' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -132.53 165.95 30.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.628 -0.715 . . . . 0.35 109.316 179.445 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.69 -0.671 . . . . 1.27 109.703 178.842 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 C--O 1.226 -0.144 0 N-CA-C 112.044 0.387 . . . . 1.24 112.044 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.91 144.07 49.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.605 0.594 . . . . 0.26 112.605 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.518 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 124.21 174.58 14.13 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.353 -0.927 . . . . 0.21 113.316 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.9 145.8 25.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.874 -0.787 . . . . 1.54 108.874 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 91.1 m-85 -130.44 140.63 50.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.135 -0.32 . . . . 1.29 110.135 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -126.82 146.81 50.13 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.072 -0.513 . . . . 1.41 110.071 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -49.54 120.43 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.07 0.856 . . . . 1.86 112.183 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.29 -50.87 2.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.841 -0.618 . . . . 1.46 110.122 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -154.45 165.71 35.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 1.01 110.588 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.408 ' OD2' ' HB2' ' A' ' 14' ' ' TYR . 1.9 p-10 -158.83 169.17 24.96 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.835 -0.431 . . . . 1.72 109.835 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -152.36 140.92 20.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.496 -0.32 . . . . 1.44 110.855 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 61.65 30.3 18.49 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.128 -0.942 . . . . 0.84 112.564 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.492 ' O ' HG22 ' A' ' 18' ' ' VAL . 58.3 t80 -61.17 -58.74 7.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.526 0.203 . . . . 1.39 111.069 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -42.54 77.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.909 -0.587 . . . . 1.3 111.546 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -43.82 91.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.124 0.488 . . . . 1.46 110.673 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HB2' ' HB2' ' A' ' 119' ' ' TYR . 87.3 t80 -63.21 -55.51 24.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.453 -0.794 . . . . 1.24 111.301 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 14' ' ' TYR . 27.1 m -59.48 -37.09 68.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.0 -0.546 . . . . 0.26 111.994 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -74.14 -28.93 61.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.664 0.269 . . . . 1.18 110.871 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -77.45 -41.41 39.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.88 111.297 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.0 pt -75.61 -14.45 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.68 0.276 . . . . 0.39 111.55 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.03 31.3 12.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.423 -0.894 . . . . 0.39 113.078 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.649 HD23 HG12 ' A' ' 28' ' ' ILE . 19.2 tp -71.68 130.47 87.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.472 -0.566 . . . . 0.31 109.472 178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.564 ' HD2' HD12 ' A' ' 23' ' ' LEU . 32.2 Cg_endo -66.37 142.77 67.33 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.291 1.994 . . . . 0.37 111.726 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.9 -36.22 62.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.39 111.277 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 30' ' ' MET . 2.9 m-20 -54.73 -42.92 72.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.762 . . . . 2.03 111.156 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 8.1 mmmt -86.84 -30.34 21.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 0.94 110.78 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.649 HG12 HD23 ' A' ' 23' ' ' LEU . 42.7 mt -61.07 -56.48 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.37 110.446 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -64.42 -31.33 72.49 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.376 0.608 . . . . 1.73 110.596 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 9.1 tpt -66.66 -37.56 85.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.097 -0.956 . . . . 0.97 110.749 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.39 32.22 5.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.837 -0.697 . . . . 0.51 113.016 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -85.95 103.66 14.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.478 -0.425 . . . . 2.27 112.063 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m120 56.37 28.13 13.05 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.533 -0.758 . . . . 1.78 111.973 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.5 m -76.37 164.6 25.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.718 0.294 . . . . 1.16 110.752 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.8 77.03 2.74 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.103 0.477 . . . . 2.49 112.096 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mm -83.07 122.12 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.367 -0.379 . . . . 0.66 110.039 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.3 t -98.78 127.86 50.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 0.37 110.217 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.604 HG23 ' OE1' ' A' ' 51' ' ' GLN . 26.1 m -110.67 108.15 17.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.923 -0.581 . . . . 0.33 109.855 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 55.2 mt-10 -98.03 120.37 38.3 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.809 -0.356 . . . . 1.39 110.097 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.6 t -113.91 122.52 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.268 -0.424 . . . . 0.22 111.958 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -107.6 126.45 63.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.213 -1.032 . . . . 0.95 108.213 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -99.97 109.08 21.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.799 0.666 . . . . 2.06 112.799 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -126.09 74.98 1.48 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.097 1.427 . . . . 1.73 108.885 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.06 -111.68 3.38 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 113.446 -1.706 . . . . 0.4 112.04 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.04 0.55 32.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.99 0.424 . . . . 0.43 110.566 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 24.9 t70 -100.94 114.06 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.191 -0.459 . . . . 1.36 111.077 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -109.69 137.87 46.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.627 -0.715 . . . . 1.0 109.896 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 1.2 p -106.39 133.86 50.42 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.147 -0.479 . . . . 0.56 111.165 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.32 101.26 10.27 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.082 -0.71 . . . . 0.42 109.082 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.468 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 1.1 m -103.77 107.51 18.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.31 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.604 ' OE1' HG23 ' A' ' 38' ' ' THR . 6.8 mm100 -98.27 118.88 35.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.93 0.395 . . . . 1.62 110.321 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -105.09 123.85 48.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.494 0.664 . . . . 0.37 111.01 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.522 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.3 t80 -100.7 125.63 38.15 Favored Pre-proline 0 C--N 1.315 -0.897 0 CA-C-N 114.681 -1.145 . . . . 1.23 109.869 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.522 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 33.7 Cg_endo -64.54 115.44 3.2 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.472 2.115 . . . . 0.46 111.605 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.56 30.15 76.79 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.835 -0.697 . . . . 0.46 112.636 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.14 -166.95 12.74 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.717 -0.754 . . . . 0.41 112.767 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.9 147.38 35.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.361 0.601 . . . . 3.34 111.246 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 t -99.09 160.79 14.01 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.74 -0.663 . . . . 0.39 110.544 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.2 114.26 8.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.548 -0.296 . . . . 0.49 110.5 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -119.16 123.01 43.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.137 0.494 . . . . 0.31 111.444 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -122.57 133.27 54.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.963 -0.562 . . . . 1.72 110.074 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.7 p -113.19 122.86 48.78 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.104 -0.702 . . . . 1.04 109.104 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -133.59 135.24 44.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.777 0.798 . . . . 0.88 112.371 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 53.5 m -104.39 129.21 52.34 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.885 -1.052 . . . . 0.25 108.899 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.411 HG21 ' HB2' ' A' ' 85' ' ' MET . 45.9 mm -54.27 128.03 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.857 0.361 . . . . 0.24 111.134 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 t70 74.66 17.6 2.93 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.045 -0.98 . . . . 1.1 110.55 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 34.9 tptt -130.57 143.78 50.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.733 -0.667 . . . . 1.59 110.424 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -74.89 125.03 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.807 -0.812 . . . . 2.55 108.807 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.52 158.17 21.99 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.222 0.452 . . . . 0.31 112.222 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -95.82 120.1 35.49 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.729 -1.212 . . . . 1.95 107.729 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.506 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 8.7 mtt -123.23 168.35 12.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.824 0.821 . . . . 0.26 112.595 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.617 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.5 tt0 -155.23 141.85 18.85 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.288 -1.324 . . . . 1.47 108.745 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.686 HG23 ' HE1' ' A' ' 79' ' ' PHE . 30.9 p -96.55 173.12 7.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.141 0.496 . . . . 0.36 110.379 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.6 mtt -76.36 -10.5 59.44 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.451 -0.574 . . . . 1.05 109.451 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.19 -18.0 65.73 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.621 -0.992 . . . . 0.48 110.621 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.99 22.75 7.77 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.773 -0.727 . . . . 0.48 112.642 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.617 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 6.9 mtp85 -92.39 119.63 32.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.064 0.432 . . . . 0.85 110.78 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.53 124.35 47.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.789 -0.819 . . . . 1.76 108.789 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.686 ' HE1' HG23 ' A' ' 73' ' ' THR . 51.4 p90 -158.93 178.11 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.709 0.29 . . . . 1.17 111.352 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -136.01 146.45 47.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.293 -0.412 . . . . 2.55 110.127 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.39 161.83 41.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.878 0.37 . . . . 0.24 111.491 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -99.21 131.12 45.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.33 109.747 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -114.43 137.86 46.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.801 -0.444 . . . . 0.19 109.801 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.482 ' CG ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -129.04 176.4 7.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.636 0.255 . . . . 1.14 110.407 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.411 ' HB2' HG21 ' A' ' 65' ' ' ILE . 1.3 mtt -130.3 126.09 36.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.147 -0.316 . . . . 0.41 110.147 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -124.41 104.19 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.866 0.365 . . . . 2.67 110.71 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.01 36.11 80.39 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.952 -0.567 . . . . 0.46 112.925 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.46 19.67 73.45 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.976 -0.63 . . . . 0.36 112.309 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -122.29 125.5 46.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.271 -0.641 . . . . 1.76 109.271 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mt -80.21 114.88 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.798 0.333 . . . . 0.22 110.239 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.482 HG13 ' CG ' ' A' ' 84' ' ' LYS . 3.0 p -116.65 128.06 74.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.302 0.572 . . . . 0.25 110.795 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.51 139.02 41.63 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.93 -0.577 . . . . 0.25 110.061 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -97.74 122.56 40.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.103 0.478 . . . . 1.19 111.381 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.42 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 68.7 m-85 -145.68 159.03 48.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.319 -0.855 . . . . 1.27 110.3 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -80.97 120.79 3.86 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.091 1.861 . . . . 0.36 111.077 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 114' ' ' SER . 1.5 m120 63.8 22.22 12.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.268 -0.424 . . . . 1.5 110.422 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.3 t80 -148.45 127.54 12.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.869 -0.605 . . . . 1.31 110.277 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.584 ' O ' ' HA ' ' A' ' 112' ' ' SER . 34.1 t60 -126.75 115.33 19.22 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.578 -0.897 . . . . 1.09 108.578 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -117.9 113.43 21.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.575 0.226 . . . . 0.67 111.178 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.427 HG22 ' HB ' ' A' ' 91' ' ' VAL . 13.0 p -123.35 129.09 50.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.356 -0.384 . . . . 0.31 110.524 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.28 136.79 52.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.174 -0.466 . . . . 0.26 109.957 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -155.83 175.65 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.772 0.32 . . . . 1.38 111.004 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 107' ' ' LYS . 13.7 mm -112.36 110.86 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.777 -0.647 . . . . 0.37 109.39 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.8 m -121.84 117.56 26.82 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.676 -0.693 . . . . 1.37 109.714 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.12 30.96 76.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.672 -0.775 . . . . 0.96 111.435 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.75 18.64 78.89 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.253 -0.498 . . . . 0.5 111.904 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 103' ' ' ILE . 21.5 mttp -124.74 151.97 44.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 1.22 111.173 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.6 tm? -89.86 116.54 28.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.717 -0.846 . . . . 0.82 108.717 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.0 p -123.84 119.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 121.219 0.533 . . . . 0.33 110.293 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.48 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 39.3 mt-10 -108.26 125.88 52.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.363 -0.835 . . . . 1.69 110.15 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.98 122.07 59.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.79 -0.818 . . . . 0.37 108.79 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -120.87 111.32 17.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.987 -0.551 . . . . 0.37 110.681 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.684 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -99.57 136.47 39.46 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.308 -0.405 . . . . 0.27 110.728 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 75.7 m -149.9 112.55 4.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.302 -0.408 . . . . 1.43 110.987 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.3 m 59.23 32.42 21.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.74 . . . . 0.63 111.714 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 100.52 -28.58 15.17 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.47 -0.871 . . . . 0.46 113.394 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.46 125.69 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 117.193 0.496 . . . . 0.53 110.946 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.684 HG22 HG23 ' A' ' 113' ' ' THR . 58.8 t -101.12 108.95 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 0.97 111.055 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 32.4 t80 -96.76 128.61 43.87 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.697 -0.683 . . . . 1.22 109.37 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -123.91 143.76 50.18 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.854 0.359 . . . . 1.17 110.73 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 2.1 ptp180 -138.66 136.25 35.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.966 -0.561 . . . . 2.48 110.234 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.2 m -116.78 123.12 46.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.843 -0.617 . . . . 0.43 110.257 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.2 m -124.46 139.86 53.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.143 -0.48 . . . . 0.38 110.352 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 15.3 pttt -87.44 154.46 20.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.262 -0.426 . . . . 1.45 109.987 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.518 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -98.91 114.8 27.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 1.45 110.549 -179.592 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.37 156.02 32.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.656 -0.702 . . . . 0.35 109.66 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.192 -0.909 . . . . 1.27 109.796 179.847 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--O 1.226 -0.154 0 CA-C-O 120.356 0.122 . . . . 1.24 111.048 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.67 141.78 58.64 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.337 0.495 . . . . 0.26 112.337 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.26 172.26 13.0 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.77 -0.729 . . . . 0.21 112.622 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -94.77 143.97 26.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.921 -0.77 . . . . 1.54 108.921 178.165 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.488 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 92.3 m-85 -129.39 136.17 49.62 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.241 -0.436 . . . . 1.29 109.947 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -120.62 144.61 48.05 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.127 -0.488 . . . . 1.41 110.318 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 1.5 t80 -49.17 115.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.049 -0.978 . . . . 1.86 112.454 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.487 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.7 tp10 -110.3 -48.98 3.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.702 -0.681 . . . . 1.46 109.994 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.3 m -153.65 163.78 39.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.933 -0.576 . . . . 1.01 110.862 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 2.0 p-10 -148.44 162.14 40.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.528 -0.545 . . . . 1.72 109.528 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -149.09 137.99 21.29 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.101 -0.5 . . . . 1.44 110.592 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 62.86 44.04 6.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.022 -0.99 . . . . 0.84 112.017 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.59 -58.63 3.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.699 0.259 . . . . 1.39 111.699 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -58.62 -41.6 86.3 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.226 -0.443 . . . . 1.3 111.525 -178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -40.84 98.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.073 -0.512 . . . . 1.46 110.323 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.474 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 32.3 t80 -65.74 -55.45 17.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.119 -0.946 . . . . 1.24 111.217 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -59.64 -39.42 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.816 -0.629 . . . . 0.26 111.99 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -72.52 -25.28 61.33 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.917 -0.313 . . . . 1.18 111.375 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -81.7 -48.0 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.836 0.31 . . . . 0.88 111.836 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 17' ' ' PHE . 29.1 pt -68.88 -18.94 23.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 0.39 111.865 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.34 38.9 6.53 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.417 -0.896 . . . . 0.39 112.261 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.678 HD23 HG12 ' A' ' 28' ' ' ILE . 14.8 tp -77.57 130.49 73.82 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 110.413 -0.218 . . . . 0.31 110.413 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.405 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 36.0 Cg_endo -67.47 144.92 69.11 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.293 1.995 . . . . 0.37 111.865 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.92 -33.34 62.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.483 -0.326 . . . . 0.39 111.188 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.18 -41.49 79.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.592 -0.731 . . . . 2.03 111.293 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 73.2 mmtt -88.21 -33.11 18.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.496 -0.32 . . . . 0.94 110.443 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.678 HG12 HD23 ' A' ' 23' ' ' LEU . 51.5 mt -57.2 -59.06 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.96 -0.563 . . . . 0.37 110.757 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.08 -36.43 81.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.915 -0.584 . . . . 1.73 111.275 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.458 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 5.0 tpt -63.72 -38.23 90.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.553 -0.749 . . . . 0.97 110.716 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.43 35.08 5.03 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.106 -0.569 . . . . 0.51 113.057 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -91.33 108.25 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.974 0.387 . . . . 2.27 111.887 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.48 26.69 15.68 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.078 -0.964 . . . . 1.78 112.008 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.6 m -79.19 142.41 36.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.499 -0.556 . . . . 1.16 109.499 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -71.3 89.56 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.455 0.645 . . . . 2.49 111.844 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.3 mm -84.39 124.01 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.751 -0.659 . . . . 0.66 110.217 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.23 136.22 27.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.312 -0.625 . . . . 0.37 109.312 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.578 HG23 ' OE1' ' A' ' 51' ' ' GLN . 32.0 m -121.04 106.04 11.2 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.077 -0.51 . . . . 0.33 110.367 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 48.2 mt-10 -95.1 115.07 26.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.981 -0.377 . . . . 1.39 109.981 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 48' ' ' THR . 58.1 t -109.53 124.89 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.685 -0.689 . . . . 0.22 111.707 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.536 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 59.3 t -115.36 130.59 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.34 -0.985 . . . . 0.95 108.34 177.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -106.99 128.81 54.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.922 0.391 . . . . 2.06 111.73 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -141.9 91.53 2.36 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.831 -0.803 . . . . 1.73 108.831 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.17 -96.08 0.87 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.906 -0.664 . . . . 0.4 111.899 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.09 11.24 7.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.264 0.554 . . . . 0.43 110.135 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 28.2 t70 -106.96 121.57 44.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.85 -0.614 . . . . 1.36 110.394 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -115.34 133.12 56.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.049 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.536 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -98.45 141.49 31.24 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.237 -0.438 . . . . 0.56 111.119 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -120.61 101.78 7.98 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.182 -0.673 . . . . 0.42 109.182 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 1.2 m -103.94 109.71 21.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.944 -0.571 . . . . 0.35 110.256 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.578 ' OE1' HG23 ' A' ' 38' ' ' THR . 8.0 mm100 -101.12 119.71 39.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.838 0.351 . . . . 1.62 110.799 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -108.25 122.64 47.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.396 0.617 . . . . 0.37 111.156 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.458 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 2.4 t80 -97.19 121.0 60.09 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 114.418 -1.265 . . . . 1.23 110.073 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 31.1 Cg_endo -63.11 114.3 2.4 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.092 1.862 . . . . 0.46 111.908 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.23 23.26 77.85 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.967 -0.635 . . . . 0.46 112.553 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.01 -170.21 13.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.627 -0.796 . . . . 0.41 112.947 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.75 145.81 42.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 3.34 111.319 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.7 t -96.78 161.01 14.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.799 -0.637 . . . . 0.39 110.288 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -145.42 113.88 6.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.748 -0.206 . . . . 0.49 110.833 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 m -111.43 135.8 51.47 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.848 0.356 . . . . 0.31 111.913 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -133.05 154.64 50.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 1.72 109.972 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.9 p -135.1 123.77 23.68 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.058 -0.719 . . . . 1.04 109.058 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -132.27 137.9 47.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.484 0.659 . . . . 0.88 112.272 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 59.4 m -106.94 130.48 54.59 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.292 -0.867 . . . . 0.25 109.547 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.52 127.57 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 120.919 0.39 . . . . 0.24 111.192 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.0 t70 70.8 25.31 3.98 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.044 0.938 . . . . 1.1 110.419 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.499 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 22.7 tptt -137.35 143.95 42.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.64 -0.709 . . . . 1.59 110.485 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -75.23 128.08 34.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.287 -0.634 . . . . 2.55 109.287 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.34 158.18 25.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.346 -0.388 . . . . 0.31 111.754 -178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.26 117.45 30.82 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 107.502 -1.296 . . . . 1.95 107.502 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.484 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 7.1 mtt -120.27 167.51 12.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.57 0.7 . . . . 0.26 111.928 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.661 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 44.6 tt0 -157.01 140.3 15.62 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.487 -1.233 . . . . 1.47 109.037 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.711 HG23 ' HE1' ' A' ' 79' ' ' PHE . 18.9 p -96.12 174.09 7.08 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.949 -0.389 . . . . 0.36 109.949 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 mtt -78.3 -4.32 47.37 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.042 -0.725 . . . . 1.05 109.042 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.98 -2.79 83.59 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.857 -0.897 . . . . 0.48 110.857 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.16 26.47 30.95 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.356 -0.449 . . . . 0.48 112.045 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.661 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.6 mtp180 -100.64 121.42 41.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.615 0.245 . . . . 0.85 111.448 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 128.81 51.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.926 -0.768 . . . . 1.76 108.926 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.711 ' HE1' HG23 ' A' ' 73' ' ' THR . 40.4 p90 -160.18 177.36 10.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 1.17 111.45 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.65 141.45 48.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.481 . . . . 2.55 109.716 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.15 162.77 40.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.249 -0.432 . . . . 0.24 111.055 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.36 132.53 51.43 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.137 -0.483 . . . . 0.33 110.297 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.97 143.14 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.229 -0.441 . . . . 0.19 110.457 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -130.56 176.79 7.87 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.835 -0.432 . . . . 1.14 109.835 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.441 ' HE2' HG12 ' A' ' 90' ' ' ILE . 1.3 mtt -131.2 118.11 19.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.611 0.243 . . . . 0.41 110.545 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.527 ' HG3' HG11 ' A' ' 91' ' ' VAL . 1.5 mt-10 -119.64 112.1 18.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.506 -0.315 . . . . 2.67 110.834 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.48 31.91 77.78 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.038 -0.601 . . . . 0.46 112.649 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.4 28.16 62.25 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.749 -0.739 . . . . 0.36 111.812 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -128.72 128.63 44.42 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.87 -0.789 . . . . 1.76 108.87 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.441 HG12 ' HE2' ' A' ' 85' ' ' MET . 1.5 mt -80.45 110.4 15.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 120.807 -0.357 . . . . 0.22 110.829 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' A' ' 86' ' ' GLU . 2.7 p -113.78 126.0 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-O 121.165 0.507 . . . . 0.25 110.868 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -102.6 142.59 33.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.75 -0.659 . . . . 0.25 110.3 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -102.12 123.11 45.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.906 0.384 . . . . 1.19 111.099 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 75.0 m-85 -143.19 164.92 28.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.184 -0.916 . . . . 1.27 109.831 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -77.22 113.31 3.56 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 121.821 1.68 . . . . 0.36 111.024 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 114' ' ' SER . 66.2 t30 65.72 15.29 9.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.842 -0.617 . . . . 1.5 111.021 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.509 ' HA ' ' O ' ' A' ' 113' ' ' THR . 3.2 t80 -136.6 127.24 27.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.214 0.531 . . . . 1.31 109.884 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.488 ' O ' ' HA ' ' A' ' 112' ' ' SER . 1.2 t60 -126.75 116.28 20.68 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.544 -0.753 . . . . 1.09 109.124 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 91' ' ' VAL . 10.2 t-160 -113.13 117.77 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.184 0.303 . . . . 0.67 110.745 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 72.9 p -127.17 129.2 47.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.753 -0.462 . . . . 0.31 109.753 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.63 137.38 54.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.501 0.191 . . . . 0.26 111.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -153.63 173.95 15.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.872 0.368 . . . . 1.38 111.08 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.5 mm -111.77 111.18 35.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.113 -0.699 . . . . 0.37 109.113 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.8 m -124.57 115.55 21.01 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.049 -0.523 . . . . 1.37 110.354 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.58 25.77 74.49 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.532 -0.627 . . . . 0.96 111.532 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.04 22.31 71.72 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.54 -0.838 . . . . 0.5 111.73 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -131.86 141.41 49.39 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.381 -0.229 . . . . 1.22 110.381 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.402 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.1 tm? -83.25 113.85 20.97 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.908 -0.775 . . . . 0.82 108.908 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -119.68 112.69 38.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.605 0.717 . . . . 0.33 109.892 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -100.47 138.88 36.94 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.172 -0.922 . . . . 1.69 109.715 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.413 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.7 mp -118.0 126.38 74.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.69 -0.686 . . . . 0.37 110.241 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 73.2 m -121.53 111.15 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.601 0.563 . . . . 0.37 110.025 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.536 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -99.45 130.72 45.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.747 0.308 . . . . 0.27 111.311 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 66.5 m -145.69 111.46 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.996 -0.547 . . . . 1.43 110.052 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.2 m 59.87 30.59 20.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.829 -0.623 . . . . 0.63 110.892 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.4 -16.76 60.62 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.717 -0.754 . . . . 0.46 112.608 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.71 113.41 16.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.879 0.371 . . . . 0.53 110.302 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.536 HG22 HG23 ' A' ' 113' ' ' THR . 57.3 t -93.34 104.18 15.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.804 -0.635 . . . . 0.97 111.358 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -94.76 124.55 38.87 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.326 -0.852 . . . . 1.22 109.056 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.413 ' HG2' HG13 ' A' ' 111' ' ' ILE . 33.4 mtpt -125.03 140.67 52.7 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 112.025 0.38 . . . . 1.17 112.025 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.483 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 24.4 mtm180 -128.99 128.53 43.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.277 -0.419 . . . . 2.48 110.225 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 8.2 m -102.81 118.21 36.33 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.777 -0.823 . . . . 0.43 108.777 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 m -124.71 135.5 53.07 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.991 -0.374 . . . . 0.38 109.991 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.2 pttt -86.41 155.47 20.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.206 -0.452 . . . . 1.45 110.848 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.536 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -93.58 121.22 34.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.889 -0.596 . . . . 1.45 109.957 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.501 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -136.43 166.84 25.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.756 -0.461 . . . . 0.35 109.756 179.099 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.508 -0.552 . . . . 1.27 109.508 179.181 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 . . . . . 0 C--O 1.227 -0.129 0 N-CA-C 111.517 0.192 . . . . 1.24 111.517 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.38 150.84 48.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.5 -0.318 . . . . 0.26 111.436 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.435 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 124.35 172.11 13.55 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.74 -0.743 . . . . 0.21 112.41 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -97.74 145.74 26.06 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.822 -0.807 . . . . 1.54 108.822 178.324 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.583 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 82.1 m-85 -128.76 140.22 51.83 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.493 -0.321 . . . . 1.29 110.195 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -127.84 158.71 37.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.013 -0.54 . . . . 1.41 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -51.12 123.58 9.7 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.499 -0.773 . . . . 1.86 111.736 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.5 tp10 -123.69 -53.45 1.77 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.625 . . . . 1.46 109.908 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.452 ' HB2' ' HB ' ' A' ' 122' ' ' THR . 35.9 m -152.25 160.36 43.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.567 -0.742 . . . . 1.01 110.912 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -153.37 156.56 38.53 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.885 -0.413 . . . . 1.72 109.885 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -147.48 140.43 24.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.386 -0.37 . . . . 1.44 110.134 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 63.49 32.73 14.1 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.519 -0.764 . . . . 0.84 111.017 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -63.34 -56.39 16.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.422 -0.353 . . . . 1.39 110.944 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.38 -41.32 96.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 1.3 110.854 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.3 -45.98 89.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.62 . . . . 1.46 110.377 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.435 ' O ' HG12 ' A' ' 21' ' ' ILE . 82.3 t80 -61.77 -56.18 22.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.957 -1.019 . . . . 1.24 111.481 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -60.99 -36.97 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.26 112.161 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -74.26 -22.13 59.45 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.921 -0.312 . . . . 1.18 111.238 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -81.41 -45.06 16.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.425 -0.352 . . . . 0.88 110.831 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 17' ' ' PHE . 24.3 pt -75.21 -13.83 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.39 111.802 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.69 36.92 21.48 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.797 -0.716 . . . . 0.39 112.741 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.702 HD12 ' HD2' ' A' ' 24' ' ' PRO . 26.5 tp -71.29 135.24 84.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.16 -0.682 . . . . 0.31 109.16 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.702 ' HD2' HD12 ' A' ' 23' ' ' LEU . 27.6 Cg_endo -63.62 139.41 69.62 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.072 1.848 . . . . 0.37 111.49 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.66 -37.96 59.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.952 -0.567 . . . . 0.39 111.375 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 30' ' ' MET . 29.8 t70 -55.84 -39.57 71.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.252 -0.886 . . . . 2.03 111.482 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -88.93 -30.56 18.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.252 . . . . 0.94 110.561 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.576 HG12 HD23 ' A' ' 23' ' ' LEU . 53.8 mt -60.1 -57.88 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.414 0.626 . . . . 0.37 110.325 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.552 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 24.4 mm-40 -65.14 -30.5 71.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.167 -0.924 . . . . 1.73 110.953 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 7.7 tpt -71.26 -32.26 68.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.951 -0.568 . . . . 0.97 111.299 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.62 14.35 53.68 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 119.907 -1.14 . . . . 0.51 114.056 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.552 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.3 ptp180 -105.1 139.03 40.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.434 0.617 . . . . 2.27 110.282 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.43 19.12 11.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.399 0.618 . . . . 1.78 110.334 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.2 m -104.31 153.52 20.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.309 -0.859 . . . . 1.16 110.296 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -91.33 92.1 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.17 0.509 . . . . 2.49 111.94 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.28 111.38 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.629 -0.878 . . . . 0.66 108.629 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.407 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 2.3 t -83.95 139.1 18.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.233 -0.439 . . . . 0.37 110.686 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' A' ' 50' ' ' THR . 33.5 m -122.43 104.89 9.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.201 -0.454 . . . . 0.33 109.875 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.8 120.22 35.69 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.165 -0.309 . . . . 1.39 110.165 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.9 t -113.49 129.17 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 123.556 0.535 . . . . 0.22 111.404 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.443 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 47.4 t -118.22 130.14 73.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.313 -0.995 . . . . 0.95 108.313 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -94.08 112.68 24.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.959 0.409 . . . . 2.06 111.973 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -118.97 73.68 0.94 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.737 -0.838 . . . . 1.73 108.737 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.16 -99.37 0.78 Allowed Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.726 -0.95 . . . . 0.4 110.726 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.2 5.53 15.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.327 0.584 . . . . 0.43 109.49 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 33.4 t70 -104.09 111.57 24.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.287 -0.87 . . . . 1.36 110.004 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -109.15 134.64 51.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.11 -0.496 . . . . 1.0 109.983 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -100.48 120.83 40.59 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.108 -0.496 . . . . 0.56 111.68 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -101.38 102.97 13.89 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.209 -0.663 . . . . 0.42 109.209 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.61 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.3 m -105.71 114.38 28.51 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.274 -0.421 . . . . 0.35 111.186 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' A' ' 38' ' ' THR . 3.5 mp0 -100.45 118.7 37.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.056 -0.35 . . . . 1.62 110.056 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.407 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 97.9 m-70 -105.32 130.61 53.4 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.141 -0.481 . . . . 0.37 110.208 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -108.75 130.67 22.46 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.814 -0.63 . . . . 1.23 110.245 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.71 112.9 2.78 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 121.622 1.548 . . . . 0.46 111.624 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.47 27.71 72.23 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 115.903 -0.59 . . . . 0.46 113.103 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.95 -167.01 13.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.298 -0.953 . . . . 0.41 113.234 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.613 ' NH2' ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -73.69 148.62 42.53 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.117 0.484 . . . . 3.34 111.513 -179.225 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -102.11 154.07 19.34 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.066 -0.515 . . . . 0.39 109.677 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -132.65 115.21 15.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.444 -0.344 . . . . 0.49 110.303 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.9 m -124.06 128.02 48.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.952 0.406 . . . . 0.31 111.961 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.92 122.99 21.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.848 -0.615 . . . . 1.72 110.04 178.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.9 p -97.67 132.2 43.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.2 -0.909 . . . . 1.04 109.138 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' A' ' 90' ' ' ILE . 52.7 p90 -133.8 138.28 45.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.535 0.683 . . . . 0.88 111.457 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.536 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 95.0 m -107.02 127.2 53.25 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.024 -0.989 . . . . 0.25 108.561 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -53.47 128.89 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.02 0.438 . . . . 0.24 111.038 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 70.32 24.81 4.63 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.117 -0.947 . . . . 1.1 110.319 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.536 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.6 tptt -137.84 141.52 40.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.518 -0.765 . . . . 1.59 110.311 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -70.03 135.64 49.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.73 -0.841 . . . . 2.55 108.73 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.78 143.9 51.11 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.998 0.428 . . . . 0.31 111.796 -178.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.94 116.14 19.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.162 -1.051 . . . . 1.95 108.162 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.425 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 23.2 mtt -120.6 163.68 17.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.413 0.625 . . . . 0.26 112.173 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.625 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 10.0 tt0 -153.42 145.15 23.43 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.863 -1.162 . . . . 1.47 107.863 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.526 HG23 ' HE1' ' A' ' 79' ' ' PHE . 20.8 p -103.2 167.63 9.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.136 0.494 . . . . 0.36 110.788 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.613 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . 54.2 mtt -64.12 -14.13 52.72 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.394 -0.821 . . . . 1.05 110.353 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.34 -9.27 67.28 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.897 -0.592 . . . . 0.48 112.204 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.35 31.23 8.08 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.065 -0.588 . . . . 0.48 113.501 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.625 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 5.7 mtp85 -91.44 122.54 34.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.567 -0.373 . . . . 0.85 110.959 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -96.43 120.83 37.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.564 -0.902 . . . . 1.76 108.564 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.526 ' HE1' HG23 ' A' ' 73' ' ' THR . 35.6 p90 -164.02 176.21 9.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.063 0.458 . . . . 1.17 111.874 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -141.82 142.81 33.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.311 -0.859 . . . . 2.55 109.903 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.44 161.41 39.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.12 -0.491 . . . . 0.24 110.483 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -103.45 122.47 44.95 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.3 -0.63 . . . . 0.33 109.3 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.44 140.06 22.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.267 -0.424 . . . . 0.19 110.184 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.421 ' HG3' HG13 ' A' ' 91' ' ' VAL . 9.1 pttt -128.1 178.74 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.789 -0.448 . . . . 1.14 109.789 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.5 mtt -131.57 117.86 19.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.605 -0.27 . . . . 0.41 110.29 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -110.4 96.66 6.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.916 0.389 . . . . 2.67 110.933 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.45 43.45 92.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.251 -0.499 . . . . 0.46 112.918 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.48 23.06 68.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.36 112.786 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -124.28 122.21 37.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.491 -0.559 . . . . 1.76 109.491 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.445 HG21 ' CE1' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -77.94 108.95 11.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.745 -0.465 . . . . 0.22 109.745 179.349 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.421 HG13 ' HG3' ' A' ' 84' ' ' LYS . 4.2 p -115.7 133.67 61.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.043 -0.526 . . . . 0.25 110.982 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.51 141.54 48.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.805 -0.634 . . . . 0.25 109.654 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.92 122.45 44.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.321 0.581 . . . . 1.19 111.595 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 75.8 m-85 -139.48 157.63 70.06 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.093 -0.958 . . . . 1.27 110.288 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.51 112.41 1.93 Allowed 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 121.986 1.791 . . . . 0.36 111.747 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 114' ' ' SER . 0.7 OUTLIER 61.99 12.92 5.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.634 -0.712 . . . . 1.5 111.866 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' ' 113' ' ' THR . 7.1 t80 -130.28 126.3 36.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.431 -0.581 . . . . 1.31 109.431 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.501 ' O ' ' HA ' ' A' ' 112' ' ' SER . 34.6 t60 -122.99 115.18 21.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.998 -0.546 . . . . 1.09 109.599 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -113.01 115.76 28.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.661 0.267 . . . . 0.67 110.749 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.3 p -125.87 128.79 48.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.223 -0.444 . . . . 0.31 109.916 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.5 137.13 52.75 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 123.134 0.271 . . . . 0.26 110.455 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.59 -176.23 5.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.101 0.477 . . . . 1.38 111.096 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.479 HD13 HD22 ' A' ' 108' ' ' LEU . 23.2 mm -115.24 123.49 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.18 -0.918 . . . . 0.37 109.444 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.6 m -132.83 104.02 6.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.226 -0.443 . . . . 1.37 109.893 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.51 36.14 76.46 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.894 -0.594 . . . . 0.96 112.375 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.14 26.2 72.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.024 -0.607 . . . . 0.5 111.936 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -132.99 147.87 52.27 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.718 -0.241 . . . . 1.22 110.368 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.485 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -91.91 114.75 27.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.813 -0.81 . . . . 0.82 108.813 179.202 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -116.29 108.1 24.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.7 0.762 . . . . 0.33 109.719 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.466 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 6.6 mt-10 -96.03 119.0 33.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.163 -0.926 . . . . 1.69 109.705 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.33 129.98 50.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.816 -0.629 . . . . 0.37 109.716 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 72.9 m -128.71 111.2 12.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.076 -0.511 . . . . 0.37 110.141 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -96.59 131.46 43.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.145 -0.479 . . . . 0.27 110.48 179.041 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 43.7 p -140.63 111.68 7.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.667 -0.494 . . . . 1.43 109.667 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.4 m 59.18 26.61 15.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.89 -0.595 . . . . 0.63 111.443 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.63 -28.35 13.64 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.735 -0.745 . . . . 0.46 113.189 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 113' ' ' THR . 71.0 t -72.4 126.57 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.911 0.356 . . . . 0.53 111.096 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 113' ' ' THR . 61.3 t -100.1 105.4 17.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.868 -0.606 . . . . 0.97 110.756 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -91.84 127.31 37.25 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.81 -0.632 . . . . 1.22 109.41 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -121.58 130.13 53.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.955 0.407 . . . . 1.17 111.17 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.466 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -127.96 123.41 34.77 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.426 -0.583 . . . . 2.48 109.426 178.251 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 3.8 m -101.33 118.63 37.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.588 -0.733 . . . . 0.43 110.009 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 1.4 m -116.85 132.05 56.8 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.823 -0.626 . . . . 0.38 110.434 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 8.1 pttm -81.0 155.52 26.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.919 -0.582 . . . . 1.45 110.24 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.509 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -98.7 123.98 43.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 1.45 110.728 -179.556 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.571 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -139.98 167.59 18.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.714 -0.847 . . . . 0.35 108.714 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.55 -0.738 . . . . 1.27 111.026 179.84 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.567 0.223 . . . . 1.24 110.666 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -62.53 141.66 58.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.125 -0.489 . . . . 0.26 110.914 179.615 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.28 168.39 12.03 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 120.571 -0.823 . . . . 0.21 111.714 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.6 142.41 30.22 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.836 -0.801 . . . . 1.54 108.836 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 83.3 m-85 -128.63 140.7 51.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.557 -0.292 . . . . 1.29 110.756 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -124.49 158.07 33.75 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.249 -0.432 . . . . 1.41 110.68 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.91 135.68 23.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 1.86 111.388 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -137.37 -55.45 0.7 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.568 -0.742 . . . . 1.46 109.837 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.5 m -152.39 144.28 23.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.15 -0.477 . . . . 1.01 110.841 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.8 151.43 45.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 1.72 110.1 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.48 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 4.1 tt0 -135.33 147.5 49.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.478 -0.328 . . . . 1.44 110.609 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 58.48 45.04 17.08 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.573 -0.74 . . . . 0.84 110.923 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.702 ' OH ' ' HA ' ' A' ' 32' ' ' ARG . 1.9 t80 -64.48 -68.82 0.32 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.497 -0.774 . . . . 1.39 111.996 -178.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.463 ' HA ' HG22 ' A' ' 18' ' ' VAL . 13.0 m-20 -64.81 -35.57 81.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.338 -0.392 . . . . 1.3 111.251 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -60.4 -42.73 96.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.271 0.558 . . . . 1.46 110.768 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -67.68 -53.39 28.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.676 -0.693 . . . . 1.24 111.112 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.5 m -63.13 -35.22 70.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.022 -0.535 . . . . 0.26 111.803 -178.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -71.33 -28.72 64.29 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.821 0.344 . . . . 1.18 110.48 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -75.1 -46.62 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.88 111.022 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.4 pt -74.19 -9.27 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.39 111.576 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.02 32.55 48.76 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.884 -0.674 . . . . 0.39 112.645 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.693 HD23 HG12 ' A' ' 28' ' ' ILE . 20.1 tp -68.08 133.14 91.79 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.441 -0.577 . . . . 0.31 109.441 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' A' ' 23' ' ' LEU . 19.8 Cg_endo -61.69 136.61 63.49 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.125 1.883 . . . . 0.37 111.457 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.38 67.8 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.026 -0.534 . . . . 0.39 110.983 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.12 -42.98 86.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.522 -0.763 . . . . 2.03 110.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -86.87 -23.16 25.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.432 -0.349 . . . . 0.94 110.453 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.693 HG12 HD23 ' A' ' 23' ' ' LEU . 21.7 mt -62.37 -57.3 12.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.196 0 CA-C-O 120.907 0.384 . . . . 0.37 109.986 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.25 -28.47 68.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 1.73 110.209 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.9 tpt -68.46 -35.55 77.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.662 -0.699 . . . . 0.97 110.153 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.91 43.53 1.67 Allowed Glycine 0 N--CA 1.44 -1.092 0 C-N-CA 120.549 -0.834 . . . . 0.51 112.299 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.702 ' HA ' ' OH ' ' A' ' 14' ' ' TYR . 7.4 ptm180 -124.31 134.1 53.28 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.773 0.321 . . . . 2.27 110.335 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 63.67 27.52 14.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.371 -0.831 . . . . 1.78 110.408 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.4 m -97.53 140.03 32.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.116 -0.493 . . . . 1.16 110.885 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HG2' ' H ' ' A' ' 35' ' ' LYS . 22.4 pttt -72.77 85.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 2.49 110.997 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.3 mm -85.37 123.75 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.6 . . . . 0.66 110.019 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 t -100.78 128.43 52.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.272 -0.422 . . . . 0.37 110.077 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.7 m -110.03 105.79 15.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.156 -0.474 . . . . 0.33 109.857 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -100.64 114.81 28.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.778 0.323 . . . . 1.39 110.237 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' THR . 59.5 t -109.31 135.14 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 0.22 112.352 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -123.01 132.51 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.96 -0.756 . . . . 0.95 108.96 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 51.4 tt0 -91.43 115.27 27.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.028 0.442 . . . . 2.06 111.721 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -126.61 76.43 1.63 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.831 -0.622 . . . . 1.73 109.366 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.09 -102.76 1.28 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 110.649 -0.98 . . . . 0.4 110.649 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.67 6.46 12.42 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.217 -0.66 . . . . 0.43 109.217 177.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -102.43 110.36 22.28 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.121 -0.945 . . . . 1.36 109.057 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -106.49 130.86 54.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -95.23 129.1 42.48 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.048 -0.524 . . . . 0.56 111.713 -179.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.49 103.09 11.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.202 -0.666 . . . . 0.42 109.202 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.618 ' O ' ' HA ' ' A' ' 38' ' ' THR . 4.7 m -101.65 121.74 42.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.904 -0.589 . . . . 0.35 110.746 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -107.46 117.69 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.641 -0.503 . . . . 1.62 109.641 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -105.1 126.29 51.92 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.387 0.613 . . . . 0.37 111.307 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.46 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.3 t80 -106.06 122.31 42.74 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 114.745 -1.116 . . . . 1.23 109.79 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.5 Cg_endo -64.79 114.05 2.6 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.136 1.891 . . . . 0.46 112.175 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.58 28.82 72.94 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.861 -0.685 . . . . 0.46 112.526 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.97 -166.67 11.76 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.369 -0.919 . . . . 0.41 112.374 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.47 140.49 38.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 3.34 110.449 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -95.23 158.65 15.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.203 -0.453 . . . . 0.39 110.663 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.1 126.28 24.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.86 -0.609 . . . . 0.49 109.555 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 m -136.7 121.2 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.133 -0.354 . . . . 0.31 111.257 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.625 ' ND2' ' HA ' ' A' ' 71' ' ' MET . 18.6 m120 -129.77 143.84 51.01 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.118 0.485 . . . . 1.72 110.96 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.7 p -115.81 128.7 56.03 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.383 -0.826 . . . . 1.04 109.297 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -131.32 140.11 49.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.101 0.477 . . . . 0.88 111.172 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 34.2 m -107.32 130.93 54.71 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.743 -0.662 . . . . 0.25 109.378 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.48 HG23 ' HA ' ' A' ' 84' ' ' LYS . 51.8 mm -54.1 125.46 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 116.36 -0.382 . . . . 0.24 111.29 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.17 29.36 3.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.359 1.064 . . . . 1.1 110.583 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 5.5 tppt? -138.15 151.95 48.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.752 -0.658 . . . . 1.59 111.231 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 59.2 mm-40 -72.57 130.84 41.53 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.62 -0.882 . . . . 2.55 108.62 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.428 ' HB3' ' HE3' ' A' ' 71' ' ' MET . . . -129.16 135.63 49.11 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.412 -0.515 . . . . 0.31 112.039 -179.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.5 117.23 15.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.348 -0.842 . . . . 1.95 109.152 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.625 ' HA ' ' ND2' ' A' ' 61' ' ' ASN . 31.0 mtt -119.65 165.99 13.76 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.597 0.962 . . . . 0.26 113.597 -178.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 28.6 tt0 -155.18 142.74 19.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.138 -0.937 . . . . 1.47 109.115 178.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.745 HG23 ' HE1' ' A' ' 79' ' ' PHE . 43.3 p -98.83 173.16 7.0 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.787 -0.449 . . . . 0.36 109.787 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 28.4 mtt -76.5 -12.53 60.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.199 -0.455 . . . . 1.05 110.287 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.09 -8.04 84.45 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.797 -0.716 . . . . 0.48 111.385 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.75 33.0 6.9 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.963 -0.637 . . . . 0.48 112.513 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.0 mtp180 -97.38 125.11 41.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.779 -0.368 . . . . 0.85 110.491 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.43 122.69 44.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.873 -0.788 . . . . 1.76 108.873 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.745 ' HE1' HG23 ' A' ' 73' ' ' THR . 41.9 p90 -163.78 -179.88 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.616 -0.72 . . . . 1.17 109.785 -177.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.73 154.49 40.61 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.873 -0.788 . . . . 2.55 108.873 176.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.94 164.33 39.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.173 0.511 . . . . 0.24 112.067 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.3 137.2 32.84 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.629 -0.714 . . . . 0.33 110.264 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.0 144.37 32.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.457 -0.571 . . . . 0.19 109.457 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.605 ' HG2' HG13 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -140.76 172.4 12.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.905 0.32 . . . . 1.14 110.915 179.431 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 mtt -120.57 122.71 41.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.642 -0.253 . . . . 0.41 110.627 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -120.36 96.8 5.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.895 0.379 . . . . 2.67 110.969 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.78 37.27 66.37 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 121.16 -0.543 . . . . 0.46 113.162 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.04 28.27 46.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.36 111.946 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -133.99 121.09 21.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.798 -0.445 . . . . 1.76 109.798 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.1 mt -79.51 110.64 15.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 110.003 -0.369 . . . . 0.22 110.003 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.605 HG13 ' HG2' ' A' ' 84' ' ' LYS . 3.7 p -114.1 132.55 62.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.228 0.537 . . . . 0.25 110.805 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.45 136.04 48.74 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.324 -0.853 . . . . 0.25 109.93 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -93.72 122.96 36.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.035 0.445 . . . . 1.19 111.741 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 97' ' ' TYR . 76.7 m-85 -143.88 153.12 57.04 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 1.27 110.572 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.15 115.34 4.11 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.194 1.929 . . . . 0.36 111.367 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 114' ' ' SER . 64.4 t30 69.39 16.17 8.32 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.385 0.612 . . . . 1.5 110.271 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.555 ' HA ' ' O ' ' A' ' 113' ' ' THR . 4.4 t80 -144.73 126.52 15.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 1.31 109.84 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.546 ' O ' ' HA ' ' A' ' 112' ' ' SER . 20.3 t60 -123.86 117.18 24.26 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.368 -0.605 . . . . 1.09 109.368 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -116.24 118.25 32.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.759 -0.201 . . . . 0.67 110.732 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.9 p -127.41 129.1 46.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.744 0.307 . . . . 0.31 111.113 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.75 131.58 56.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.44 -0.345 . . . . 0.26 110.109 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.24 175.36 10.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.042 0.448 . . . . 1.38 110.907 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.9 mm -124.21 111.6 29.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.506 -0.77 . . . . 0.37 109.574 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 m -132.31 106.7 8.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.213 -0.448 . . . . 1.37 110.394 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.12 27.82 29.94 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.949 -0.569 . . . . 0.96 111.837 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.92 30.6 72.33 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.817 -0.706 . . . . 0.5 111.445 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -138.31 149.86 46.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.054 0.454 . . . . 1.22 110.364 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.429 HD11 ' HG3' ' A' ' 110' ' ' GLU . 2.9 tm? -93.72 113.47 25.55 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.458 -0.792 . . . . 0.82 109.04 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -117.19 109.46 27.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.524 0.678 . . . . 0.33 109.72 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 108' ' ' LEU . 30.5 mt-10 -96.14 131.35 42.68 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.412 -0.813 . . . . 1.69 110.195 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.479 HG23 HG13 ' A' ' 118' ' ' VAL . 4.2 mp -112.02 124.03 68.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.002 -0.545 . . . . 0.37 109.706 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 19.5 m -122.12 109.9 15.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.933 -0.576 . . . . 0.37 109.735 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -99.52 134.17 42.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.31 -0.405 . . . . 0.27 111.107 -179.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 56.5 m -144.32 107.27 4.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.173 -0.467 . . . . 1.43 109.986 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.1 m 60.41 33.14 20.73 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.698 -0.683 . . . . 0.63 111.576 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.65 -36.74 4.18 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.501 -0.857 . . . . 0.46 113.278 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 113' ' ' THR . 56.2 t -68.01 123.3 21.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.863 0.363 . . . . 0.53 111.144 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.561 HG22 HG23 ' A' ' 113' ' ' THR . 99.8 t -100.76 107.93 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.89 -0.595 . . . . 0.97 111.026 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -92.22 112.85 24.95 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.069 -0.514 . . . . 1.22 109.758 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.48 ' HD2' ' OE2' ' A' ' 12' ' ' GLU . 22.3 mttt -107.64 131.29 54.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.566 -0.288 . . . . 1.17 111.155 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -131.41 118.84 20.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.569 0.7 . . . . 2.48 109.587 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.2 m -102.32 123.27 45.82 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.577 -0.738 . . . . 0.43 110.125 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.8 m -121.62 136.64 54.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.243 -0.435 . . . . 0.38 110.059 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.0 pttm -80.18 156.9 26.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.354 -0.384 . . . . 1.45 110.24 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 126.8 41.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.461 . . . . 1.45 111.213 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.36 166.52 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.438 -0.801 . . . . 0.35 109.507 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.576 -0.726 . . . . 1.27 109.851 179.056 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.534 0.207 . . . . 1.24 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.56 138.17 58.25 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.059 0.392 . . . . 0.26 112.059 -179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 170.02 11.75 Favored Glycine 0 N--CA 1.44 -1.061 0 C-N-CA 120.737 -0.744 . . . . 0.21 112.413 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 141.87 28.1 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.58 -0.896 . . . . 1.54 108.58 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 97.2 m-85 -127.05 142.53 51.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.504 -0.316 . . . . 1.29 110.34 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.417 ' HG2' HG22 ' A' ' 37' ' ' VAL . 32.6 mt-10 -129.69 148.31 51.56 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.973 -0.291 . . . . 1.41 110.348 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.402 ' HE1' ' HB2' ' A' ' 11' ' ' ASP . 22.0 t80 -45.65 114.33 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.292 0.995 . . . . 1.86 112.682 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -109.85 -56.16 2.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.461 -0.791 . . . . 1.46 110.341 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 m -146.37 166.18 27.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.51 -0.314 . . . . 1.01 110.66 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.557 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 8.6 t70 -151.57 156.19 39.97 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.0 -0.37 . . . . 1.72 110.0 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 27.7 tt0 -151.85 136.77 17.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 1.44 111.112 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.07 36.35 9.86 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.219 -0.9 . . . . 0.84 112.098 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.557 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 38.4 t80 -63.52 -62.81 1.43 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.313 0.486 . . . . 1.39 112.313 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.9 m-20 -58.63 -38.46 78.11 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.113 0.412 . . . . 1.3 112.113 -178.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.76 -39.74 89.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.325 0.583 . . . . 1.46 109.642 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -68.26 -55.58 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.059 -0.973 . . . . 1.24 111.155 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 15' ' ' ASP . 31.5 m -60.86 -35.4 64.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.086 -0.507 . . . . 0.26 112.126 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -71.09 -26.93 63.26 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 120.913 -0.315 . . . . 1.18 110.949 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -81.6 -44.4 17.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.841 0.353 . . . . 0.88 111.625 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.425 HG12 ' HA ' ' A' ' 18' ' ' VAL . 25.6 pt -70.75 -17.07 20.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.271 -0.422 . . . . 0.39 111.685 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.43 39.18 9.17 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.768 -0.729 . . . . 0.39 112.354 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.556 HD23 HG12 ' A' ' 28' ' ' ILE . 16.0 tp -78.36 134.41 62.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.16 -0.311 . . . . 0.31 110.16 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' HD12 ' A' ' 23' ' ' LEU . 36.2 Cg_endo -67.78 145.59 69.55 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.399 2.066 . . . . 0.37 111.795 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.73 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 0.39 111.521 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 30' ' ' MET . 13.3 m-20 -59.18 -37.17 76.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.552 -0.749 . . . . 2.03 111.705 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -88.43 -34.26 17.58 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 121.036 -0.266 . . . . 0.94 110.642 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.556 HG12 HD23 ' A' ' 23' ' ' LEU . 64.3 mt -55.83 -56.51 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.37 110.904 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 11.5 mm-40 -67.39 -31.61 71.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.143 0.497 . . . . 1.73 111.116 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.471 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 9.4 tpt -65.76 -38.77 89.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.57 -0.741 . . . . 0.97 110.178 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.85 37.91 3.56 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.766 -0.73 . . . . 0.51 114.253 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.537 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.5 ptp180 -119.9 135.46 54.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.87 0.835 . . . . 2.27 111.011 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 59.46 22.51 11.03 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.4 -0.818 . . . . 1.78 111.95 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' SG ' ' HE1' ' A' ' 53' ' ' PHE . 1.1 p -94.16 151.49 19.44 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.085 -0.339 . . . . 1.16 110.085 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.45 ' HG3' ' HG3' ' A' ' 54' ' ' PRO . 2.5 ptpt -80.68 88.97 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.721 0.772 . . . . 2.49 111.782 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mm -85.35 123.74 39.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.728 -0.669 . . . . 0.66 109.741 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 5.4 t -98.33 125.46 51.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.262 -0.427 . . . . 0.37 110.166 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.701 ' HA ' ' O ' ' A' ' 50' ' ' THR . 25.0 m -107.6 106.0 16.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.759 -0.655 . . . . 0.33 110.289 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.453 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 58.9 mt-10 -94.18 117.66 30.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.048 -0.352 . . . . 1.39 110.048 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 48' ' ' THR . 59.7 t -111.11 124.47 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 123.467 0.48 . . . . 0.22 111.376 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.49 126.75 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 108.602 -0.888 . . . . 0.95 108.602 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -91.91 120.87 32.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.042 0.449 . . . . 2.06 111.853 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -128.16 75.34 1.61 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.715 -0.675 . . . . 1.73 109.235 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.07 -95.81 0.76 Allowed Glycine 0 CA--C 1.507 -0.42 0 N-CA-C 111.339 -0.704 . . . . 0.4 111.339 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.16 9.23 10.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.229 -0.656 . . . . 0.43 109.229 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.485 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 35.5 t70 -108.13 108.97 20.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.07 -0.968 . . . . 1.36 109.339 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -104.69 137.7 42.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 73.2 p -99.08 139.08 35.25 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 120.937 0.399 . . . . 0.56 110.531 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -118.4 102.45 8.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.956 -0.565 . . . . 0.42 109.503 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.701 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.3 m -101.92 124.36 47.41 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.089 -0.505 . . . . 0.35 110.232 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.507 ' HB3' ' HE3' ' A' ' 74' ' ' MET . 18.3 mm-40 -110.14 116.8 32.19 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.384 -0.599 . . . . 1.62 109.384 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.431 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 92.9 m-70 -105.66 125.9 51.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.106 0.479 . . . . 0.37 111.304 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.471 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 2.2 t80 -102.15 122.64 46.18 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-N 115.163 -0.926 . . . . 1.23 109.344 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 39.7 Cg_endo -66.03 114.4 2.98 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.257 1.971 . . . . 0.46 111.147 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.9 26.99 71.42 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.588 -0.815 . . . . 0.46 112.091 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.21 -165.15 11.59 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.497 -0.859 . . . . 0.41 113.064 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.466 HH12 HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -78.88 146.74 33.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.988 0.423 . . . . 3.34 111.187 -179.664 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -98.47 156.79 16.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.237 -0.438 . . . . 0.39 110.691 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.466 HG23 HH12 ' A' ' 57' ' ' ARG . 1.2 m -136.51 114.04 10.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.262 -0.427 . . . . 0.49 110.454 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.404 HG23 HG23 ' A' ' 50' ' ' THR . 3.7 m -121.83 127.06 50.12 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.874 0.324 . . . . 0.31 111.874 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.654 ' ND2' ' HA ' ' A' ' 71' ' ' MET . 23.5 m120 -138.37 130.51 28.58 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.107 0.48 . . . . 1.72 110.578 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.3 p -105.2 136.65 44.32 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.696 -0.684 . . . . 1.04 109.38 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.469 ' CE2' HG21 ' A' ' 90' ' ' ILE . 53.4 p90 -136.2 138.07 41.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.434 0.635 . . . . 0.88 111.832 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.547 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 80.7 m -105.29 132.8 51.03 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.614 -0.721 . . . . 0.25 109.638 178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.22 126.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.491 -0.322 . . . . 0.24 110.687 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t70 75.65 25.08 1.23 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.887 0.851 . . . . 1.1 109.139 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.547 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 9.7 tppt? -137.68 149.45 46.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.997 -1.001 . . . . 1.59 110.776 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -83.51 126.81 33.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.851 -0.796 . . . . 2.55 108.851 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -123.47 140.76 52.68 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.457 0.54 . . . . 0.31 112.457 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.7 115.37 13.04 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.304 -0.628 . . . . 1.95 109.304 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.654 ' HA ' ' ND2' ' A' ' 61' ' ' ASN . 8.0 mtt -115.44 161.38 18.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.951 0.722 . . . . 0.26 112.951 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.531 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 30.5 tt0 -148.74 143.48 26.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.469 -0.787 . . . . 1.47 109.764 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.732 HG23 ' HE1' ' A' ' 79' ' ' PHE . 25.4 p -101.05 168.41 9.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.492 -0.558 . . . . 0.36 109.492 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.507 ' HE3' ' HB3' ' A' ' 51' ' ' GLN . 40.1 mtt -75.12 -1.1 21.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.851 0.358 . . . . 1.05 110.099 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.39 -1.36 64.43 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.325 -0.71 . . . . 0.48 111.325 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.99 25.48 26.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.014 -0.612 . . . . 0.48 112.337 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.531 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 12.3 mtp180 -93.24 120.17 33.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.965 0.412 . . . . 0.85 110.948 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -100.26 123.19 44.19 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.614 -0.884 . . . . 1.76 108.614 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.732 ' HE1' HG23 ' A' ' 73' ' ' THR . 42.6 p90 -163.39 -177.15 5.13 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 116.169 -0.469 . . . . 1.17 109.77 -177.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.6 151.25 29.52 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.735 -0.839 . . . . 2.55 108.735 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.68 164.92 34.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.854 0.359 . . . . 0.24 111.727 -177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.35 133.42 39.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.828 -0.624 . . . . 0.33 110.095 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -119.3 137.16 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.089 -0.505 . . . . 0.19 110.601 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.531 ' HG2' HG13 ' A' ' 91' ' ' VAL . 2.4 pttp -129.72 168.66 16.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.654 0.264 . . . . 1.14 110.408 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -121.83 128.54 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.765 0.316 . . . . 0.41 110.41 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -141.02 119.17 12.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.373 -0.376 . . . . 2.67 110.408 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.23 31.63 71.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.019 -0.61 . . . . 0.46 112.06 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.12 31.41 69.3 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.816 -0.707 . . . . 0.36 111.341 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -133.1 129.62 38.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.028 -0.36 . . . . 1.76 110.028 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.469 HG21 ' CE2' ' A' ' 63' ' ' PHE . 1.8 mt -84.11 111.35 19.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.074 -0.512 . . . . 0.22 110.026 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.531 HG13 ' HG2' ' A' ' 84' ' ' LYS . 6.3 p -114.07 133.26 60.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.223 0.535 . . . . 0.25 110.223 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -107.43 136.86 46.5 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.038 -0.528 . . . . 0.25 111.082 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -86.67 119.53 27.01 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.3 -0.409 . . . . 1.19 111.722 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 70.6 m-85 -146.31 151.63 44.46 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.902 -0.59 . . . . 1.27 110.878 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.54 115.53 4.33 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.727 2.285 . . . . 0.36 111.557 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 114' ' ' SER . 7.0 t-20 64.57 17.77 11.04 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.31 0.576 . . . . 1.5 110.56 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.506 ' HB3' ' CB ' ' A' ' 94' ' ' PHE . 4.0 t80 -140.06 130.1 24.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.403 0.62 . . . . 1.31 110.191 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -129.56 111.66 12.95 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.824 -0.626 . . . . 1.09 110.095 179.285 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.468 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 5.6 t60 -112.56 115.55 28.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.022 0.439 . . . . 0.67 110.579 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.4 HG22 ' HB ' ' A' ' 91' ' ' VAL . 22.8 p -123.05 129.41 51.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.944 -0.571 . . . . 0.31 110.922 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.1 134.95 54.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.31 -0.405 . . . . 0.26 110.161 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.86 176.67 11.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.668 0.271 . . . . 1.38 111.228 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.3 mm -115.02 111.79 37.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.787 -0.642 . . . . 0.37 109.958 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.0 m -123.74 105.55 9.77 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.006 0.431 . . . . 1.37 110.427 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.28 36.23 50.9 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.96 111.903 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.71 26.33 74.55 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 121.167 -0.54 . . . . 0.5 112.403 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -135.08 148.22 49.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.827 0.346 . . . . 1.22 111.272 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -88.92 116.52 27.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.01 -0.737 . . . . 0.82 109.01 179.23 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.6 p -120.6 111.39 31.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 N-CA-C 109.724 -0.473 . . . . 0.33 109.724 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.409 ' HG3' HD12 ' A' ' 108' ' ' LEU . 22.9 mt-10 -99.08 134.8 41.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.698 -0.683 . . . . 1.69 110.385 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 4.2 mp -115.66 130.51 70.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.656 -0.702 . . . . 0.37 109.632 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.6 m -125.34 108.78 12.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.26 -0.645 . . . . 0.37 109.26 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -98.93 128.41 45.09 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.405 -0.362 . . . . 0.27 111.635 -179.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 53.0 p -137.41 108.01 6.57 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.428 -0.582 . . . . 1.43 109.428 178.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.6 m 57.9 41.44 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.129 0.49 . . . . 0.63 111.116 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.74 -32.43 5.83 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.63 -0.795 . . . . 0.46 112.819 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 113' ' ' THR . 98.0 t -65.27 113.4 2.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.725 0.297 . . . . 0.53 110.419 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 113' ' ' THR . 57.3 t -95.7 109.45 22.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.111 -0.495 . . . . 0.97 111.038 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 111' ' ' ILE . 69.7 t80 -94.02 134.64 36.21 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.747 -0.661 . . . . 1.22 109.821 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.412 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 72.5 mttt -130.27 138.38 50.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.775 0.321 . . . . 1.17 111.555 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -141.21 122.2 14.57 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.171 -0.677 . . . . 2.48 109.171 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.9 m -100.22 131.15 46.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.566 -0.743 . . . . 0.43 110.636 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.9 m -126.78 132.87 50.95 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.008 -0.542 . . . . 0.38 110.186 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 53.1 pttt -80.01 155.31 27.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.196 -0.456 . . . . 1.45 109.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.533 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -99.78 122.92 43.47 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.019 -0.363 . . . . 1.45 110.019 -179.413 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.94 164.69 34.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.905 -0.589 . . . . 0.35 109.61 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.968 -0.539 . . . . 1.27 110.309 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 CA--C 1.522 -0.125 0 N-CA-C 110.258 -0.275 . . . . 1.24 110.258 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -61.72 139.52 58.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 0.26 111.505 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.05 172.06 12.76 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.448 -0.882 . . . . 0.21 112.169 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -97.51 142.14 29.71 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.818 -1.178 . . . . 1.54 107.818 178.028 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.517 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 99.6 m-85 -126.28 139.2 53.5 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.753 -0.379 . . . . 1.29 110.959 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 62.6 mt-10 -122.85 142.92 50.24 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.355 -0.839 . . . . 1.41 108.951 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.73 129.96 17.16 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.732 0.645 . . . . 1.86 111.04 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -123.52 -55.24 1.74 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.958 -0.564 . . . . 1.46 110.537 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.5 m -148.69 164.97 32.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.258 -0.428 . . . . 1.01 110.708 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.87 159.3 44.64 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.475 -0.565 . . . . 1.72 109.475 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 4.9 tt0 -145.87 138.72 25.81 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.957 -0.565 . . . . 1.44 110.031 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 58.76 41.41 21.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.903 -1.044 . . . . 0.84 111.586 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.64 -57.8 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.031 -0.268 . . . . 1.39 111.322 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.498 ' HA ' HG22 ' A' ' 18' ' ' VAL . 6.2 m-20 -60.87 -38.31 85.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.751 0.31 . . . . 1.3 111.727 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -40.71 94.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.344 0.592 . . . . 1.46 110.285 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.443 ' O ' HG12 ' A' ' 21' ' ' ILE . 73.2 t80 -64.54 -51.35 63.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.256 -0.884 . . . . 1.24 110.654 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.7 m -64.42 -37.83 81.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.648 . . . . 0.26 111.789 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 2.0 mmpt? -67.03 -32.38 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.676 -0.41 . . . . 1.18 110.295 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -73.43 -53.81 9.78 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.928 -0.578 . . . . 0.88 111.488 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 17' ' ' PHE . 19.7 pt -68.69 -3.81 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.861 -0.609 . . . . 0.39 111.235 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.77 39.1 93.5 Favored Glycine 0 C--O 1.237 0.304 0 C-N-CA 121.269 -0.491 . . . . 0.39 113.267 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD23 HG12 ' A' ' 28' ' ' ILE . 16.8 tp -73.42 134.83 79.33 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.134 -0.321 . . . . 0.31 110.134 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.469 ' HD2' HD12 ' A' ' 23' ' ' LEU . 30.5 Cg_endo -66.68 141.89 61.87 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.234 1.956 . . . . 0.37 111.41 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.25 -37.58 62.22 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.116 -0.493 . . . . 0.39 111.68 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' MET . 4.6 t70 -54.7 -40.29 69.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.447 -0.797 . . . . 2.03 111.056 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -88.56 -32.44 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.587 -0.278 . . . . 0.94 110.936 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.513 HG12 HD23 ' A' ' 23' ' ' LEU . 79.9 mt -57.28 -61.25 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.498 . . . . 0.37 111.378 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.4 -29.35 68.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.838 -0.619 . . . . 1.73 111.117 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.461 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 11.1 tpt -67.66 -40.34 84.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.791 -0.64 . . . . 0.97 110.461 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.45 25.06 28.76 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.709 -0.757 . . . . 0.51 113.157 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -125.06 145.8 49.74 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 122.218 -0.578 . . . . 2.27 110.58 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 57.88 27.03 14.03 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.585 -0.734 . . . . 1.78 111.102 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -106.93 156.39 18.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.082 -0.508 . . . . 1.16 110.6 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 84.69 7.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.44 0.638 . . . . 2.49 111.464 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mm -82.12 122.69 37.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.653 -0.703 . . . . 0.66 110.118 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 2.8 t -103.94 125.06 58.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.958 -0.386 . . . . 0.37 109.958 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.768 ' HA ' ' O ' ' A' ' 50' ' ' THR . 18.7 m -115.34 110.18 19.0 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.193 -0.458 . . . . 0.33 111.189 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.31 110.63 23.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.967 0.413 . . . . 1.39 110.243 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.59 126.75 65.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.58 -0.737 . . . . 0.22 111.047 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.595 HG12 ' OG1' ' A' ' 48' ' ' THR . 7.1 p -113.92 136.99 48.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.48 -0.563 . . . . 0.95 109.48 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -85.28 112.54 20.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.281 0.563 . . . . 2.06 111.455 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -125.92 74.08 1.4 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.611 -0.722 . . . . 1.73 109.915 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.34 -102.89 1.0 Allowed Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.448 -1.061 . . . . 0.4 110.448 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.79 9.76 11.44 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.053 -0.721 . . . . 0.43 109.053 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 39.1 t70 -103.45 109.09 20.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.604 -1.18 . . . . 1.36 109.448 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.38 130.48 54.19 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.003 0.43 . . . . 1.0 110.449 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.595 ' OG1' HG12 ' A' ' 41' ' ' VAL . 77.9 p -91.48 121.0 32.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.197 -0.456 . . . . 0.56 110.803 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.568 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -100.47 100.45 11.21 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.303 -0.999 . . . . 0.42 108.303 178.571 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.768 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.8 m -106.78 117.82 35.06 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.937 -0.574 . . . . 0.35 110.596 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -112.06 119.04 37.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.968 0.414 . . . . 1.62 110.634 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -102.17 127.7 48.98 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.894 -0.594 . . . . 0.37 110.582 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.5 t80 -101.6 125.83 36.15 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.45 -0.795 . . . . 1.23 110.313 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.1 Cg_endo -61.7 115.38 2.75 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.742 2.295 . . . . 0.46 112.032 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.0 18.1 64.14 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.716 -0.674 . . . . 0.46 112.851 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.13 -169.66 11.95 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.643 -0.789 . . . . 0.41 112.882 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.46 142.13 46.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.952 0.406 . . . . 3.34 111.798 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 t -88.54 157.03 18.75 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.554 -0.535 . . . . 0.39 109.554 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.4 m -140.0 118.8 12.45 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.43 -0.35 . . . . 0.49 110.12 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 m -127.07 128.72 46.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.02 0.438 . . . . 0.31 111.751 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.568 ' ND2' ' HB3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -139.01 115.73 10.71 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.569 -0.741 . . . . 1.72 109.565 177.556 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.1 m -98.06 146.9 25.08 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.241 -0.89 . . . . 1.04 109.784 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -146.61 148.85 32.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.192 0.52 . . . . 0.88 112.228 -177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.459 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 39.9 m -113.53 129.26 56.59 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.421 -0.808 . . . . 0.25 109.588 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.436 HG23 ' HA ' ' A' ' 84' ' ' LYS . 50.5 mm -55.75 125.25 10.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.648 -0.251 . . . . 0.24 110.908 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t0 76.24 22.19 1.36 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 124.188 0.93 . . . . 1.1 110.455 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.479 ' HE3' ' O ' ' A' ' 68' ' ' GLU . 38.2 tptt -138.1 141.58 40.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.579 -0.737 . . . . 1.59 110.152 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -70.56 134.37 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.767 -0.827 . . . . 2.55 108.767 177.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.82 152.99 46.22 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.555 0.576 . . . . 0.31 112.555 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.26 118.33 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.235 -0.893 . . . . 1.95 109.619 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 6.6 mtt -122.82 168.73 11.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.213 0.53 . . . . 0.26 112.019 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 16.8 tt0 -155.94 142.58 18.71 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.373 -0.973 . . . . 1.47 108.373 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.659 HG23 ' HE1' ' A' ' 79' ' ' PHE . 21.9 p -97.84 170.75 8.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.912 -0.403 . . . . 0.36 109.912 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.9 mtt -73.55 -14.39 61.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.335 -0.393 . . . . 1.05 110.075 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.02 -19.71 69.34 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.795 -0.639 . . . . 0.48 111.615 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.65 38.86 2.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.107 -0.568 . . . . 0.48 112.598 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.559 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.9 mtp180 -103.51 127.32 50.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.785 -0.244 . . . . 0.85 110.894 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -101.29 122.89 44.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.965 -0.754 . . . . 1.76 108.965 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.659 ' HE1' HG23 ' A' ' 73' ' ' THR . 53.4 p90 -161.67 172.3 16.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 1.17 112.274 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -139.45 138.47 36.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.162 -0.926 . . . . 2.55 109.682 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.79 162.78 37.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.048 -0.523 . . . . 0.24 111.244 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.2 138.86 33.2 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.262 -0.427 . . . . 0.33 109.955 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.75 140.02 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 116.185 -0.461 . . . . 0.19 109.934 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HA ' HG23 ' A' ' 65' ' ' ILE . 39.3 pttt -134.68 178.47 6.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.662 -0.496 . . . . 1.14 109.662 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 mtt -128.45 135.39 49.41 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.624 0.249 . . . . 0.41 110.906 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -130.69 103.42 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.237 -0.438 . . . . 2.67 110.585 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.52 42.95 99.65 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.056 -0.592 . . . . 0.46 112.954 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.47 19.6 76.05 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.072 -0.585 . . . . 0.36 112.985 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -123.53 126.91 47.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.518 -0.549 . . . . 1.76 109.518 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 mt -81.53 114.78 23.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.506 -0.553 . . . . 0.22 109.506 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.405 HG13 ' HG3' ' A' ' 84' ' ' LYS . 5.5 p -116.06 136.13 53.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.231 0.539 . . . . 0.25 111.547 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.14 147.92 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.721 -0.672 . . . . 0.25 110.452 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -106.69 123.31 47.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.989 0.424 . . . . 1.19 111.326 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.44 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 68.0 m-85 -142.7 152.92 60.73 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.78 -0.645 . . . . 1.27 110.792 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.73 113.99 3.38 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.32 2.013 . . . . 0.36 111.442 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 63.08 20.24 12.16 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.954 -0.566 . . . . 1.5 110.695 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.44 ' HB3' ' CB ' ' A' ' 94' ' ' PHE . 6.5 t80 -142.65 128.57 19.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.12 0.486 . . . . 1.31 109.936 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.55 ' O ' ' HA ' ' A' ' 112' ' ' SER . 8.3 t60 -125.84 114.5 18.65 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.408 -0.59 . . . . 1.09 109.408 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 8.7 t60 -116.39 119.7 36.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.868 0.366 . . . . 0.67 111.27 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.9 p -125.94 131.34 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.31 110.015 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.32 140.86 49.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.332 -0.394 . . . . 0.26 110.374 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -160.79 171.7 18.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.919 0.39 . . . . 1.38 110.881 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.0 mm -112.17 116.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.783 -0.644 . . . . 0.37 110.219 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 p -112.45 96.48 6.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.458 -0.337 . . . . 1.37 110.753 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.5 32.99 64.23 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.939 -0.648 . . . . 0.96 112.562 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.3 12.27 70.64 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.401 -0.904 . . . . 0.5 112.763 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -122.31 139.24 54.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.858 0.361 . . . . 1.22 110.481 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.0 tm? -84.66 124.91 32.01 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.856 -0.611 . . . . 0.82 109.49 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -129.56 122.24 54.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 116.06 -0.518 . . . . 0.33 110.199 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.408 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 31.6 mt-10 -108.57 129.94 55.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.584 -0.735 . . . . 1.69 110.197 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 5.0 mp -111.73 132.41 60.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.919 -0.582 . . . . 0.37 109.479 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.55 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.3 m -130.17 108.4 10.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.149 -0.478 . . . . 0.37 110.676 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.611 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -90.74 130.78 36.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.39 -0.368 . . . . 0.27 111.089 179.475 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.5 p -134.87 103.65 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.223 -0.444 . . . . 1.43 110.809 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.7 m 56.33 25.17 9.1 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.994 -0.548 . . . . 0.63 112.265 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 118.19 -32.5 5.24 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.649 -0.786 . . . . 0.46 112.89 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.59 119.93 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 117.048 0.424 . . . . 0.53 110.747 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.611 HG22 HG23 ' A' ' 113' ' ' THR . 72.8 t -96.39 107.15 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.988 -0.551 . . . . 0.97 110.786 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' A' ' 111' ' ' ILE . 46.1 t80 -90.79 142.83 27.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.761 -0.654 . . . . 1.22 109.893 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 1.9 mttt -137.1 142.48 42.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.799 0.333 . . . . 1.17 110.898 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.408 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -143.97 121.84 12.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.527 -0.545 . . . . 2.48 109.527 177.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 23.9 m -104.52 132.23 51.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.069 -0.514 . . . . 0.43 111.257 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.4 m -124.89 136.94 54.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.837 -0.619 . . . . 0.38 109.726 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 5.9 pttm -79.23 155.61 28.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.414 -0.357 . . . . 1.45 110.238 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.517 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -100.22 121.21 41.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 1.45 110.717 -179.781 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.72 167.59 17.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.442 -0.799 . . . . 0.35 109.06 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.19 -0.91 . . . . 1.27 109.558 178.059 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.603 0.239 . . . . 1.24 110.504 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 141.54 55.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.139 0.495 . . . . 0.26 111.906 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.22 167.99 12.34 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.147 -1.025 . . . . 0.21 111.947 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.4 OUTLIER -94.47 144.02 25.92 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.344 -0.984 . . . . 1.54 108.344 178.281 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.578 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 94.7 m-85 -126.36 138.02 53.52 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.473 -0.331 . . . . 1.29 110.309 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -126.35 146.26 50.12 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.979 -0.555 . . . . 1.41 110.055 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -45.59 130.19 8.86 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.267 0.979 . . . . 1.86 112.251 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -127.41 -46.52 1.47 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.222 -0.899 . . . . 1.46 109.484 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -156.01 166.09 34.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 1.01 110.474 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 121' ' ' ARG . 4.7 p-10 -148.47 163.45 37.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.277 -0.638 . . . . 1.72 109.277 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -152.93 135.25 15.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.148 0.499 . . . . 1.44 110.531 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 60.3 31.2 20.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.698 -1.137 . . . . 0.84 112.046 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -63.74 -56.47 15.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.831 0.348 . . . . 1.39 111.179 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.459 ' HA ' HG22 ' A' ' 18' ' ' VAL . 3.1 m-20 -61.47 -37.17 82.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.165 -0.47 . . . . 1.3 111.288 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -36.91 84.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.117 -0.492 . . . . 1.46 110.697 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.51 ' O ' HG12 ' A' ' 21' ' ' ILE . 40.8 t80 -69.35 -52.42 27.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.517 -0.765 . . . . 1.24 110.939 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 15' ' ' ASP . 34.2 m -61.04 -37.41 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.882 -0.599 . . . . 0.26 111.454 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -72.73 -23.73 60.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.864 0.364 . . . . 1.18 110.823 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -80.59 -47.91 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.88 111.078 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 17' ' ' PHE . 30.2 pt -73.34 -16.7 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.457 -0.338 . . . . 0.39 111.837 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.71 30.56 23.59 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.645 -0.788 . . . . 0.39 112.697 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.724 HD23 HG12 ' A' ' 28' ' ' ILE . 16.9 tp -61.82 136.08 94.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.206 -0.294 . . . . 0.31 110.206 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' A' ' 23' ' ' LEU . 33.3 Cg_endo -65.25 140.69 65.61 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.498 2.132 . . . . 0.37 111.804 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.74 -35.76 66.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.118 -0.492 . . . . 0.39 111.346 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -40.91 76.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.538 -0.755 . . . . 2.03 110.955 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -88.95 -33.7 17.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.94 110.885 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.724 HG12 HD23 ' A' ' 23' ' ' LEU . 46.3 mt -55.52 -55.33 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 N-CA-C 109.814 -0.439 . . . . 0.37 109.814 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 5.4 mm-40 -62.6 -36.14 81.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.396 -0.82 . . . . 1.73 110.745 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.416 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 7.7 tpt -64.05 -36.38 83.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.511 -0.768 . . . . 0.97 111.201 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.95 30.37 7.46 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.615 -0.802 . . . . 0.51 113.711 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.436 ' HD2' ' OE1' ' A' ' 29' ' ' GLU . 5.2 mtt180 -90.3 105.29 17.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.491 0.646 . . . . 2.27 111.777 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.42 24.74 11.97 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.337 -0.847 . . . . 1.78 112.217 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.0 m -80.45 145.65 31.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.18 -0.464 . . . . 1.16 109.999 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 7.3 ptpt -75.83 93.28 3.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.808 0.67 . . . . 2.49 112.808 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 mm -87.24 129.81 38.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.848 -0.615 . . . . 0.66 110.087 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 51' ' ' GLN . 4.4 t -102.31 134.78 42.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.567 -0.531 . . . . 0.37 109.567 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.527 HG23 ' OE1' ' A' ' 51' ' ' GLN . 38.1 m -119.86 108.3 14.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.372 -0.376 . . . . 0.33 110.348 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.455 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 27.6 mt-10 -97.49 115.78 28.45 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.124 -0.324 . . . . 1.39 110.124 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 48' ' ' THR . 54.5 t -111.72 129.28 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.888 -0.596 . . . . 0.22 112.033 -178.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.4 t -118.9 133.36 66.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.264 -1.013 . . . . 0.95 108.264 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.79 119.46 39.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.755 0.65 . . . . 2.06 112.755 -177.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -134.35 74.92 1.56 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.57 1.176 . . . . 1.73 109.394 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.58 -109.47 3.41 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 114.687 -1.142 . . . . 0.4 111.448 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.85 13.61 17.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.05 0.452 . . . . 0.43 109.889 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -108.72 111.73 23.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.481 -0.781 . . . . 1.36 109.73 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -108.81 138.01 45.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.574 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 17.2 p -101.36 139.99 36.27 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.267 -0.424 . . . . 0.56 110.651 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -121.38 100.24 6.92 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.682 -0.859 . . . . 0.42 108.682 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 8.3 m -103.99 108.97 20.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.943 -0.572 . . . . 0.35 110.566 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.527 ' OE1' HG23 ' A' ' 38' ' ' THR . 7.1 mm100 -99.35 119.19 37.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.944 -0.571 . . . . 1.62 111.176 -178.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.472 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 97.1 m-70 -106.86 120.95 43.39 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.939 -0.573 . . . . 0.37 110.571 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 4.0 t80 -90.01 129.94 44.26 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 114.905 -1.043 . . . . 1.23 109.712 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.586 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 14.7 Cg_endo -58.54 114.73 2.11 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.208 1.939 . . . . 0.46 111.928 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.39 27.04 67.11 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.897 -0.592 . . . . 0.46 111.806 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.97 -167.67 11.18 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.429 -0.891 . . . . 0.41 112.499 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.417 HH12 HG23 ' A' ' 59' ' ' THR . 0.2 OUTLIER -77.75 146.85 35.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 122.449 0.3 . . . . 3.34 111.007 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 t -98.08 160.23 14.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.678 0.275 . . . . 0.39 110.356 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.417 HG23 HH12 ' A' ' 57' ' ' ARG . 1.0 OUTLIER -140.8 111.86 7.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.483 -0.326 . . . . 0.49 110.821 -179.114 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.418 HG23 ' OG1' ' A' ' 50' ' ' THR . 3.0 m -105.75 129.95 53.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.947 0.403 . . . . 0.31 111.52 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -125.66 147.22 49.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.322 -0.621 . . . . 1.72 109.322 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.1 p -130.54 126.48 36.9 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.94 -0.763 . . . . 1.04 108.94 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -136.25 147.51 47.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.482 0.658 . . . . 0.88 112.151 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.489 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 96.9 m -115.71 130.65 56.93 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.321 -0.854 . . . . 0.25 108.972 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.45 HG23 ' HA ' ' A' ' 84' ' ' LYS . 47.4 mm -55.45 127.78 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.044 0.449 . . . . 0.24 111.78 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t70 70.38 24.64 4.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.229 -0.896 . . . . 1.1 109.639 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 18.4 tptm -137.39 142.4 41.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.985 -1.007 . . . . 1.59 110.085 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.3 140.94 52.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.035 -0.728 . . . . 2.55 109.035 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.67 161.8 30.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.498 0.555 . . . . 0.31 112.498 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -96.38 114.03 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.933 -1.03 . . . . 1.95 108.369 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.534 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 12.2 mtt -119.39 165.78 13.89 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.538 0.685 . . . . 0.26 111.849 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.712 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.6 tt0 -157.21 139.26 14.42 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.625 -1.17 . . . . 1.47 109.057 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.654 HG23 ' HE1' ' A' ' 79' ' ' PHE . 18.9 p -95.8 166.1 11.97 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.854 -0.424 . . . . 0.36 109.854 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 61.5 mtm -74.2 -1.69 21.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.235 0.541 . . . . 1.05 109.886 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.08 -12.59 61.65 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.869 -0.892 . . . . 0.48 110.869 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.95 35.89 4.39 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.115 -0.564 . . . . 0.48 112.715 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.712 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 20.1 mtp85 -111.93 117.85 33.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.692 0.246 . . . . 0.85 110.985 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.18 122.99 45.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.25 -1.018 . . . . 1.76 108.25 178.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.654 ' HE1' HG23 ' A' ' 73' ' ' THR . 36.7 p90 -150.72 176.12 11.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.936 0.398 . . . . 1.17 111.675 -177.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.23 133.73 47.67 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.726 -0.67 . . . . 2.55 109.236 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.73 161.45 41.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.25 -0.432 . . . . 0.24 110.381 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.55 140.63 30.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.664 0.269 . . . . 0.33 110.443 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.72 137.57 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.638 -0.505 . . . . 0.19 109.638 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' HA ' HG23 ' A' ' 65' ' ' ILE . 33.3 pttt -134.79 -178.06 4.91 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.803 -0.443 . . . . 1.14 109.803 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.2 mtt -129.2 138.36 51.68 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.154 -0.218 . . . . 0.41 110.708 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.438 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 0.9 OUTLIER -120.98 76.71 1.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.197 0.523 . . . . 2.67 111.275 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.81 49.06 9.22 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.701 -0.761 . . . . 0.46 113.294 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.4 5.94 88.16 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.927 -0.654 . . . . 0.36 112.871 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.438 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -118.3 125.06 49.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.963 -0.754 . . . . 1.76 108.963 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.8 mt -79.7 120.97 32.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.796 -0.362 . . . . 0.22 110.733 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.445 HG13 ' HG3' ' A' ' 84' ' ' LYS . 6.6 p -120.4 131.67 72.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.225 0.536 . . . . 0.25 110.357 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -106.4 149.49 26.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.041 -0.527 . . . . 0.25 111.097 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -99.47 120.25 39.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 1.19 111.004 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.497 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 78.5 m-85 -148.68 151.05 34.85 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.297 -0.41 . . . . 1.27 110.467 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.94 116.11 4.6 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.574 2.182 . . . . 0.36 111.489 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 114' ' ' SER . 65.5 t30 64.46 20.5 12.18 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.508 0.67 . . . . 1.5 110.037 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.582 ' HA ' ' O ' ' A' ' 113' ' ' THR . 2.1 t80 -143.61 119.23 10.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.705 -0.68 . . . . 1.31 110.748 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' SER . 17.0 t60 -118.57 103.82 10.08 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.663 -0.865 . . . . 1.09 108.663 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -109.77 120.2 41.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.626 -0.261 . . . . 0.67 110.939 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.0 p -126.39 150.69 48.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.897 -0.592 . . . . 0.31 111.199 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.12 135.31 46.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.731 -0.668 . . . . 0.26 109.976 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -154.12 173.58 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.02 0.438 . . . . 1.38 110.73 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 mm -110.17 124.54 67.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.503 -0.771 . . . . 0.37 109.596 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.2 m -133.5 102.83 5.66 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.038 -0.528 . . . . 1.37 109.949 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.35 36.66 49.51 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.747 -0.661 . . . . 0.96 111.982 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.72 20.01 77.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.84 -0.695 . . . . 0.5 111.592 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -127.45 149.32 50.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.9 0.381 . . . . 1.22 110.682 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.9 tm? -90.9 120.85 32.25 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.733 -0.667 . . . . 0.82 109.242 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.4 p -123.13 113.92 39.87 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.449 0.642 . . . . 0.33 110.145 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.439 ' HG3' HD11 ' A' ' 108' ' ' LEU . 31.3 mt-10 -98.29 136.34 38.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.567 -0.742 . . . . 1.69 109.885 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.58 123.41 71.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.836 -0.62 . . . . 0.37 109.602 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.4 m -123.68 122.73 38.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.153 -0.476 . . . . 0.37 109.731 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -113.06 136.62 52.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.557 -0.292 . . . . 0.27 111.771 -179.594 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 50.3 m -149.88 112.36 4.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.913 -0.585 . . . . 1.43 110.503 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 57.8 m 57.7 39.68 27.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.398 -0.819 . . . . 0.63 112.228 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.43 -29.0 10.94 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.876 -0.678 . . . . 0.46 114.309 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.1 t -77.25 125.6 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.542 0.671 . . . . 0.53 111.283 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.571 HG22 HG23 ' A' ' 113' ' ' THR . 47.2 t -103.89 111.01 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.684 -0.689 . . . . 0.97 110.597 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.474 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 5.0 t80 -100.36 131.86 46.05 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.624 -0.716 . . . . 1.22 109.553 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 110' ' ' GLU . 29.6 mtpt -130.34 150.7 51.45 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 120.914 0.388 . . . . 1.17 111.125 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 15.5 ptt-85 -145.33 131.21 19.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.107 -0.497 . . . . 2.48 110.163 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.6 m -104.24 125.29 50.39 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.704 -0.68 . . . . 0.43 110.698 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.9 m -123.89 137.38 54.65 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.894 -0.41 . . . . 0.38 109.894 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 12.7 pttm -80.61 159.0 25.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.404 -0.362 . . . . 1.45 111.208 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.511 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -99.02 121.48 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.077 0.465 . . . . 1.45 110.12 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.552 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -141.75 168.23 15.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.581 -0.736 . . . . 0.35 109.548 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.373 -0.822 . . . . 1.27 109.732 178.696 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--O 1.228 -0.079 0 N-CA-C 111.435 0.161 . . . . 1.24 111.435 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.26 142.92 50.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.147 0.498 . . . . 0.26 112.336 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.522 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 128.28 174.3 13.7 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.756 -0.735 . . . . 0.21 112.294 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.06 145.05 25.79 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.919 -0.771 . . . . 1.54 108.919 178.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 98.1 m-85 -127.28 145.54 50.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.699 0.285 . . . . 1.29 110.358 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -134.8 156.13 49.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.793 -0.64 . . . . 1.41 109.515 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -49.04 129.38 17.54 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.7 0.625 . . . . 1.86 111.392 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 122' ' ' THR . 8.8 tp10 -126.6 -56.06 1.4 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.75 -0.659 . . . . 1.46 110.03 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.3 m -148.24 164.41 34.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.398 -0.819 . . . . 1.01 109.738 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.584 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 12.7 t70 -153.86 156.01 36.81 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.424 -0.584 . . . . 1.72 109.424 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 60.8 tt0 -151.48 134.52 15.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.205 0.526 . . . . 1.44 111.531 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 60.69 41.66 14.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.797 -1.092 . . . . 0.84 111.987 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.584 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 18.2 t80 -69.55 -59.0 3.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.465 -0.334 . . . . 1.39 111.467 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.476 ' HA ' HG22 ' A' ' 18' ' ' VAL . 5.1 m-20 -57.92 -46.27 85.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.3 111.463 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.92 -42.34 75.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.288 0.566 . . . . 1.46 110.927 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -66.17 -56.66 10.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.124 -0.944 . . . . 1.24 111.378 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.3 m -60.8 -34.36 58.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.709 -0.678 . . . . 0.26 112.424 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -71.27 -27.57 63.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.679 0.276 . . . . 1.18 111.024 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.21 -39.57 25.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 0.88 111.861 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 pt -79.97 -6.06 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.042 0.449 . . . . 0.39 111.388 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.63 35.91 34.94 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.995 -0.621 . . . . 0.39 113.484 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.712 HD23 HG12 ' A' ' 28' ' ' ILE . 22.7 tp -70.91 132.81 86.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.228 -0.656 . . . . 0.31 109.228 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HD2' HD12 ' A' ' 23' ' ' LEU . 29.6 Cg_endo -65.34 138.75 56.83 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.974 1.783 . . . . 0.37 111.194 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . . . -55.3 -32.47 62.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.112 -0.495 . . . . 0.39 111.377 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -41.85 78.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.442 -0.799 . . . . 2.03 110.442 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -88.41 -30.82 19.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.94 110.408 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.712 HG12 HD23 ' A' ' 23' ' ' LEU . 55.9 mt -59.55 -58.14 8.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 0.37 110.208 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.495 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 45.4 mm-40 -66.7 -18.34 65.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.796 -0.638 . . . . 1.73 110.714 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.431 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.8 tpt -85.04 -29.59 24.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.758 -0.655 . . . . 0.97 111.246 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.99 23.53 16.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.369 -0.919 . . . . 0.51 113.758 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.6 ptp180 -105.28 127.6 53.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.02 0.41 . . . . 2.27 110.485 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.33 23.49 11.95 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.563 -0.744 . . . . 1.78 111.548 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.8 m -90.05 153.58 20.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.131 -0.486 . . . . 1.16 109.985 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -85.33 93.59 8.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.352 0.596 . . . . 2.49 112.106 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.92 122.37 51.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.682 -0.69 . . . . 0.66 109.62 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.4 t -94.39 126.68 46.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.294 -0.412 . . . . 0.37 110.952 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.689 ' HA ' ' O ' ' A' ' 50' ' ' THR . 28.5 m -110.58 107.31 16.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.351 -0.386 . . . . 0.33 110.129 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -96.33 110.92 23.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.191 -0.3 . . . . 1.39 110.191 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' A' ' 48' ' ' THR . 69.6 t -103.75 124.74 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.023 -0.535 . . . . 0.22 111.959 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.532 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 94.2 t -111.27 127.13 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.611 -0.885 . . . . 0.95 108.611 178.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -95.78 135.29 37.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.249 0.547 . . . . 2.06 112.082 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -152.0 86.83 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.218 -0.901 . . . . 1.73 109.577 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.6 -96.9 0.45 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.979 -0.629 . . . . 0.4 111.979 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.3 8.72 10.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.513 -0.551 . . . . 0.43 109.513 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -101.97 120.46 40.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.505 -0.77 . . . . 1.36 110.783 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -120.67 127.42 52.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.629 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.532 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -94.54 126.39 39.79 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.106 -0.497 . . . . 0.56 111.742 -179.667 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.96 101.16 10.94 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.292 -1.003 . . . . 0.42 108.292 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.689 ' O ' ' HA ' ' A' ' 38' ' ' THR . 7.3 m -109.74 110.22 21.16 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.19 -0.459 . . . . 0.35 110.4 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -104.31 117.76 34.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.302 0.572 . . . . 1.62 110.876 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -101.24 131.31 47.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.424 -0.807 . . . . 0.37 110.759 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.431 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 5.7 t80 -107.59 132.94 20.62 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-N 116.043 -0.526 . . . . 1.23 109.729 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 37.8 Cg_endo -65.15 111.96 1.93 Allowed 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 121.829 1.686 . . . . 0.46 111.597 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.59 24.28 70.98 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 115.925 -0.58 . . . . 0.46 113.631 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.52 -166.76 10.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.326 -0.94 . . . . 0.41 112.789 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 150.32 49.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.534 0.207 . . . . 3.34 110.977 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.5 t -108.78 149.23 29.36 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.243 -0.651 . . . . 0.39 109.243 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.8 m -127.34 111.73 14.22 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.981 0.419 . . . . 0.49 109.903 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -119.93 115.23 23.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.161 -0.472 . . . . 0.31 111.448 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -122.96 131.02 53.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.408 0.623 . . . . 1.72 110.355 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -109.17 123.78 49.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.236 -0.893 . . . . 1.04 109.66 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -131.96 149.72 52.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.276 0.56 . . . . 0.88 111.743 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.436 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 36.5 m -120.52 130.55 54.3 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.484 -0.78 . . . . 0.25 108.902 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.9 mm -55.1 126.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.597 -0.274 . . . . 0.24 111.143 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t70 74.02 23.02 2.26 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.294 0.997 . . . . 1.1 110.121 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 32.3 tptt -137.74 140.07 40.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.229 -0.896 . . . . 1.59 110.339 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -69.25 140.91 54.51 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.436 -0.579 . . . . 2.55 109.436 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -133.34 150.57 51.85 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.331 0.493 . . . . 0.31 112.331 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -83.99 120.07 25.67 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.223 -1.028 . . . . 1.95 108.223 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.496 ' SD ' ' HB3' ' A' ' 81' ' ' ALA . 15.5 mtt -121.53 170.68 9.44 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.512 0.672 . . . . 0.26 112.014 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.654 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 6.4 tt0 -160.31 145.51 14.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.614 -1.175 . . . . 1.47 108.705 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.525 HG23 ' HE1' ' A' ' 79' ' ' PHE . 26.7 p -89.58 -178.46 5.56 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.723 -0.391 . . . . 0.36 110.136 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 43.7 mtt -82.19 -11.36 58.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.929 -0.767 . . . . 1.05 108.929 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.59 -15.6 58.1 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.39 -0.823 . . . . 0.48 111.417 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.67 61.0 0.92 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.023 -0.608 . . . . 0.48 112.753 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.654 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 15.4 mtp180 -122.67 124.95 44.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.297 -0.261 . . . . 0.85 110.297 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -93.69 122.85 36.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.866 0.365 . . . . 1.76 110.845 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.525 ' HE1' HG23 ' A' ' 73' ' ' THR . 47.3 p90 -160.28 168.53 25.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 1.17 110.498 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -132.37 144.49 50.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.211 -0.449 . . . . 2.55 109.837 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.496 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -148.0 162.32 39.57 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.301 -0.409 . . . . 0.24 110.775 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.68 133.05 46.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.157 -0.683 . . . . 0.33 109.157 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.7 t -114.63 141.13 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 110.22 -0.289 . . . . 0.19 110.22 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.483 ' CG ' HG13 ' A' ' 91' ' ' VAL . 11.3 pttt -130.71 -179.53 5.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.856 -0.424 . . . . 1.14 109.856 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.465 ' HE2' HG12 ' A' ' 90' ' ' ILE . 1.7 mtt -135.33 133.32 38.68 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.132 -0.227 . . . . 0.41 110.552 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -131.03 108.17 9.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.985 0.421 . . . . 2.67 110.28 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.91 88.51 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.037 -0.601 . . . . 0.46 112.849 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.54 17.4 66.29 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.51 -0.852 . . . . 0.36 112.485 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 85' ' ' MET . 69.1 mttt -116.52 126.44 53.34 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.972 -0.381 . . . . 1.76 109.972 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.465 HG12 ' HE2' ' A' ' 85' ' ' MET . 2.2 mt -82.36 109.46 16.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.86 0.362 . . . . 0.22 110.225 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.483 HG13 ' CG ' ' A' ' 84' ' ' LYS . 1.5 p -111.43 130.05 65.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.976 -0.556 . . . . 0.25 111.477 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -107.94 142.39 38.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 0.25 110.78 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -99.78 120.47 39.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.284 0.564 . . . . 1.19 111.835 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -143.27 154.4 60.78 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.42 -0.809 . . . . 1.27 110.264 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -72.39 114.26 3.95 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.243 1.962 . . . . 0.36 111.638 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.554 ' O ' ' HA ' ' A' ' 114' ' ' SER . 66.9 t30 70.93 -0.44 3.04 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.307 0.643 . . . . 1.5 111.45 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.544 ' HA ' ' O ' ' A' ' 113' ' ' THR . 4.0 t80 -122.55 127.57 49.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.164 -0.471 . . . . 1.31 109.786 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.497 ' O ' ' HA ' ' A' ' 112' ' ' SER . 40.8 t60 -124.55 113.52 18.19 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.061 -0.718 . . . . 1.09 109.061 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -115.25 115.45 26.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.693 0.283 . . . . 0.67 111.307 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.456 HG22 ' HB ' ' A' ' 91' ' ' VAL . 14.4 p -123.02 128.92 50.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.127 -0.488 . . . . 0.31 110.511 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.81 137.89 51.66 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.127 -0.323 . . . . 0.26 110.127 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' O ' HD22 ' A' ' 108' ' ' LEU . 13.1 pt-20 -155.4 179.26 9.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.897 0.38 . . . . 1.38 111.294 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 45.3 mm -116.53 110.96 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 115.692 -0.686 . . . . 0.37 109.753 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 m -119.81 113.22 20.28 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.139 -0.482 . . . . 1.37 110.068 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.37 71.26 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.83 -0.7 . . . . 0.96 111.599 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.9 21.08 75.07 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.903 -0.665 . . . . 0.5 111.533 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -129.48 142.83 50.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 1.22 111.204 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.2 tm? -81.99 121.99 27.22 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.79 -0.819 . . . . 0.82 108.79 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -126.76 118.56 51.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-O 121.139 0.495 . . . . 0.33 110.14 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -101.95 133.2 47.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.645 -0.707 . . . . 1.69 109.805 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.1 mp -115.0 124.11 71.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 108.597 -0.89 . . . . 0.37 108.597 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 2.5 m -121.86 114.0 20.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.103 -0.499 . . . . 0.37 110.576 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.657 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -101.07 132.25 46.59 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.19 -0.459 . . . . 0.27 110.455 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 49.2 m -145.76 114.25 6.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.269 -0.423 . . . . 1.43 109.914 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.9 m 60.98 27.71 17.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.981 -0.554 . . . . 0.63 111.307 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.47 -14.77 64.47 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.978 -0.63 . . . . 0.46 112.432 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 113' ' ' THR . 47.1 t -80.54 122.65 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.928 -0.397 . . . . 0.53 109.928 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.657 HG22 HG23 ' A' ' 113' ' ' THR . 38.7 t -100.01 119.41 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.038 0.447 . . . . 0.97 110.94 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -106.46 130.08 54.32 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.493 -0.776 . . . . 1.22 109.419 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 54.8 mttt -123.08 142.6 50.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.034 0.445 . . . . 1.17 111.182 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 1.3 ptp180 -143.77 133.58 23.88 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.045 -0.525 . . . . 2.48 109.952 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 1.8 m -112.31 130.11 56.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.141 -0.481 . . . . 0.43 110.543 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.5 m -125.26 133.13 52.78 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.754 -0.657 . . . . 0.38 110.029 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 7.5 pttm -80.64 154.33 27.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.388 -0.369 . . . . 1.45 110.325 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.522 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -100.69 119.29 38.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.197 -0.456 . . . . 1.45 110.219 -179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.79 165.28 30.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.172 -0.467 . . . . 0.35 109.842 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.191 -0.909 . . . . 1.27 109.814 179.647 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 111.604 0.224 . . . . 1.11 111.604 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -76.41 -36.82 57.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.743 0.306 . . . . 1.24 110.814 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.547 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 2.0 m -58.12 127.84 34.13 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.97 0.414 . . . . 0.26 111.981 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.47 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 139.59 174.98 13.92 Favored Glycine 0 N--CA 1.438 -1.183 0 C-N-CA 120.401 -0.904 . . . . 0.21 112.333 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 141.27 28.66 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.199 -0.667 . . . . 1.54 109.199 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.554 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 66.1 m-85 -123.4 139.96 53.49 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.375 -0.375 . . . . 1.29 110.124 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HB2' HD11 ' A' ' 126' ' ' ILE . 29.5 mt-10 -127.65 143.79 51.13 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 110.03 -0.359 . . . . 1.41 110.03 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -49.52 124.53 9.58 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.925 0.765 . . . . 1.86 111.754 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.51 -51.65 2.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.701 . . . . 1.46 110.71 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 m -151.09 169.93 20.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.94 -0.573 . . . . 1.01 111.051 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.523 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -158.1 163.76 37.31 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 110.014 -0.365 . . . . 1.72 110.014 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 19.3 tt0 -147.79 138.08 22.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 1.44 109.954 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 61.34 34.81 18.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.135 -0.939 . . . . 0.84 112.195 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.523 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 10.9 t80 -61.95 -59.15 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.627 0.251 . . . . 1.39 111.295 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' HA ' HG22 ' A' ' 18' ' ' VAL . 6.8 m-20 -61.7 -39.02 89.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.289 -0.414 . . . . 1.3 111.484 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -43.21 99.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.121 0.486 . . . . 1.46 110.484 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.479 ' O ' HG12 ' A' ' 21' ' ' ILE . 72.0 t80 -64.28 -53.04 55.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.468 -0.787 . . . . 1.24 110.964 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.509 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.3 m -61.22 -35.86 68.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.26 111.449 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -69.46 -28.46 66.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.692 0.282 . . . . 1.18 111.655 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HG3' ' CG2' ' A' ' 117' ' ' VAL . 18.2 mmmt -82.42 -46.52 13.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.629 0.252 . . . . 0.88 111.598 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 17' ' ' PHE . 30.4 pt -69.54 -9.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.429 . . . . 0.39 111.056 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.39 37.97 53.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.938 -0.649 . . . . 0.39 112.974 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.652 HD11 H152 ' A' ' 200' ' ' CHO . 16.5 tp -71.53 133.73 84.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.621 -0.511 . . . . 0.31 109.621 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.552 ' HD2' HD12 ' A' ' 23' ' ' LEU . 34.3 Cg_endo -66.62 139.56 53.55 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.307 2.005 . . . . 0.37 111.603 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.22 57.29 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.97 -0.559 . . . . 0.39 111.742 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.31 -37.36 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.585 -0.734 . . . . 2.03 111.631 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -89.03 -33.02 17.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.56 -0.291 . . . . 0.94 111.207 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.58 HG12 HD23 ' A' ' 23' ' ' LEU . 71.5 mt -56.8 -62.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.839 -0.619 . . . . 0.37 111.875 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 4.2 mm-40 -68.28 -18.63 64.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 1.73 111.091 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.0 tpt -75.91 -42.7 48.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.796 -0.638 . . . . 0.97 109.617 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.671 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -100.27 32.23 7.56 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.659 -0.701 . . . . 0.51 113.905 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.468 ' HD2' ' OE1' ' A' ' 29' ' ' GLU . 9.3 ptm180 -123.36 141.15 52.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.765 0.782 . . . . 2.27 111.351 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.35 19.98 10.68 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.609 -0.723 . . . . 1.78 111.495 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.56 150.63 22.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.406 -0.361 . . . . 1.16 110.598 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 pttt -76.44 83.08 3.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.029 -0.532 . . . . 2.49 112.173 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.9 mm -80.73 123.86 37.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.513 . . . . 0.66 109.64 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 16.6 t -103.74 122.61 56.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 110.247 -0.279 . . . . 0.37 110.247 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.794 ' HA ' ' O ' ' A' ' 50' ' ' THR . 86.6 m -109.67 106.17 15.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.374 -0.376 . . . . 0.33 110.154 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -93.99 117.53 30.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.313 -0.403 . . . . 1.39 110.496 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -110.48 130.65 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.891 -0.595 . . . . 0.22 112.213 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.4 t -115.55 133.41 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.995 -0.548 . . . . 0.95 110.263 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.547 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 33.2 tp60 -83.08 111.9 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 2.06 110.635 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -130.72 73.9 1.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.462 -0.57 . . . . 1.73 109.462 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.75 -99.42 0.6 Allowed Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 111.026 -0.83 . . . . 0.4 111.026 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.04 6.81 10.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.308 -0.627 . . . . 0.43 109.308 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 37.2 t70 -100.1 108.35 20.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.846 -1.07 . . . . 1.36 109.513 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -103.09 128.49 49.97 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.898 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.3 p -89.4 121.29 31.5 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.179 -0.464 . . . . 0.56 111.058 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.5 OUTLIER -104.24 99.92 9.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.064 -0.717 . . . . 0.42 109.064 178.46 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.794 ' O ' ' HA ' ' A' ' 38' ' ' THR . 6.0 m -104.29 121.04 42.51 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.13 -0.486 . . . . 0.35 110.697 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -109.08 117.26 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.623 -0.51 . . . . 1.62 109.623 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -102.73 133.16 48.23 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.069 0.462 . . . . 0.37 110.115 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -112.3 120.32 41.78 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.436 -0.802 . . . . 1.23 110.017 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.01 114.29 2.24 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.609 2.206 . . . . 0.46 112.598 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.08 24.66 74.6 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.46 113.094 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.66 -165.62 11.44 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.351 -0.928 . . . . 0.41 113.066 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.81 145.79 42.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.966 0.412 . . . . 3.34 111.333 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 t -101.43 161.7 13.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.844 -0.616 . . . . 0.39 110.43 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.27 131.1 21.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.31 -0.626 . . . . 0.49 109.31 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.7 m -137.05 119.14 15.43 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.022 -0.424 . . . . 0.31 110.91 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -131.53 116.72 17.81 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.012 0.435 . . . . 1.72 110.389 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.3 m -97.16 147.57 23.95 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.936 -0.764 . . . . 1.04 108.936 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' A' ' 90' ' ' ILE . 40.8 p90 -145.11 141.78 29.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.077 0.465 . . . . 0.88 111.679 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 50.5 m -106.16 124.81 50.16 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.732 -0.84 . . . . 0.25 108.732 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.05 124.17 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.575 -0.284 . . . . 0.24 111.186 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.6 t0 78.01 22.45 0.82 Allowed 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.249 0.968 . . . . 1.1 110.259 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 34.8 tptt -137.9 144.9 41.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.405 -0.816 . . . . 1.59 110.354 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -71.55 130.28 40.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.457 -0.571 . . . . 2.55 109.457 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -120.55 148.56 43.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.034 0.445 . . . . 0.31 111.826 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.34 119.89 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.679 -1.23 . . . . 1.95 107.679 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.551 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 19.8 mtt -124.16 162.45 23.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.61 0.719 . . . . 0.26 112.874 -177.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 27.3 tt0 -151.84 144.63 24.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.648 -1.16 . . . . 1.47 108.775 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.97 HG22 H162 ' A' ' 201' ' ' CHO . 32.0 p -100.98 176.01 5.41 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.846 0.355 . . . . 0.36 110.34 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.732 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 39.0 mtt -77.62 -17.52 57.7 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.292 -0.413 . . . . 1.05 110.494 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.21 -6.29 88.12 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.928 -0.654 . . . . 0.48 112.15 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.79 48.85 2.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.849 -0.691 . . . . 0.48 113.11 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.624 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.8 mtp85 -113.44 122.95 48.87 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.737 -0.273 . . . . 0.85 110.618 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -100.93 122.34 43.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.989 -0.745 . . . . 1.76 108.989 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.795 ' HZ ' H181 ' A' ' 201' ' ' CHO . 48.3 p90 -162.3 175.82 11.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.2 0.524 . . . . 1.17 111.89 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.23 152.09 51.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.626 -0.715 . . . . 2.55 109.638 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -156.69 161.86 39.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.235 -0.439 . . . . 0.24 110.535 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.09 133.11 47.45 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.619 -0.512 . . . . 0.33 109.619 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.27 133.44 65.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.368 -0.378 . . . . 0.19 110.247 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -127.15 176.76 7.13 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.393 -0.595 . . . . 1.14 109.393 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 89' ' ' LYS . 2.1 mtt -125.57 132.8 52.48 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.984 -0.376 . . . . 0.41 109.984 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 4.8 pt-20 -121.11 84.84 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 2.67 111.324 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.45 41.97 28.74 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.406 -0.902 . . . . 0.46 112.758 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.87 8.23 82.83 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.36 112.878 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 24.2 mtpt -113.26 129.77 56.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.42 -0.585 . . . . 1.76 109.42 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.452 HG21 ' CE1' ' A' ' 63' ' ' PHE . 1.5 mt -84.74 114.2 24.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 110.112 -0.329 . . . . 0.22 110.112 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 p -116.81 131.49 69.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.353 0.597 . . . . 0.25 111.556 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.665 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -112.8 139.59 48.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.62 -0.718 . . . . 0.25 109.687 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -100.61 124.11 45.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.964 0.411 . . . . 1.19 111.368 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.49 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 76.6 m-85 -142.33 154.59 64.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.7 -0.682 . . . . 1.27 110.361 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -67.54 114.92 3.46 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.057 1.838 . . . . 0.36 111.668 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' A' ' 114' ' ' SER . 13.1 t-20 58.9 25.26 13.46 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.436 0.636 . . . . 1.5 110.589 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.717 ' CZ ' H213 ' A' ' 201' ' ' CHO . 2.6 t80 -146.03 122.57 11.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.361 -0.836 . . . . 1.31 109.555 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.485 ' O ' ' HA ' ' A' ' 112' ' ' SER . 19.5 t60 -125.67 114.78 19.13 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.834 -0.432 . . . . 1.09 109.834 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.546 ' CD2' ' H21' ' A' ' 201' ' ' CHO . 8.3 t60 -112.97 124.89 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.165 0.291 . . . . 0.67 110.792 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.7 p -131.41 129.11 40.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.31 110.445 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.21 134.14 55.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.365 -0.379 . . . . 0.26 110.247 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -152.27 171.46 17.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.349 . . . . 1.38 110.733 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.9 mm -111.44 118.99 58.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.108 -0.496 . . . . 0.37 111.168 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -113.38 91.72 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.14 -0.482 . . . . 1.37 111.075 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.55 43.8 84.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.96 113.449 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.18 13.29 79.34 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.526 -0.845 . . . . 0.5 112.976 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -126.33 142.35 51.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.874 0.368 . . . . 1.22 110.318 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.54 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.8 tm? -92.53 123.47 35.86 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.593 -0.731 . . . . 0.82 109.34 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -124.8 118.5 53.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 121.368 0.604 . . . . 0.33 110.528 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -101.49 126.05 48.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.68 -0.691 . . . . 1.69 109.444 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 3.8 mp -108.86 122.74 63.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 109.458 -0.571 . . . . 0.37 109.458 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.3 m -122.95 108.94 13.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.052 -0.522 . . . . 0.37 110.61 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.807 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -94.92 131.74 40.5 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.596 -0.52 . . . . 0.27 109.596 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 5.7 t -151.8 119.34 6.05 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 120.966 0.413 . . . . 1.43 110.288 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.4 m 59.14 24.18 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.408 -0.814 . . . . 0.63 111.966 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 107.43 -28.79 11.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.46 113.391 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.566 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 67.8 t -80.31 129.83 36.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 117.173 0.486 . . . . 0.53 111.942 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.807 HG22 HG23 ' A' ' 113' ' ' THR . 87.5 t -101.58 106.93 20.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.583 -0.735 . . . . 0.97 110.121 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -93.81 128.55 40.12 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.967 -0.56 . . . . 1.22 110.281 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 51.7 mttt -122.41 144.67 48.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.353 -0.385 . . . . 1.17 110.332 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.62 116.34 9.23 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.879 -0.6 . . . . 2.48 109.729 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.1 m -96.51 125.96 41.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.808 -0.633 . . . . 0.43 110.207 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.6 m -124.66 132.9 53.38 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.18 -0.464 . . . . 0.38 109.981 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 15.6 pttm -80.22 154.17 28.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.375 -0.375 . . . . 1.45 110.819 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.554 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -97.73 118.58 34.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.139 0.495 . . . . 1.45 109.921 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.542 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -134.33 168.52 23.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 108.607 -0.886 . . . . 0.35 108.607 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.422 -0.799 . . . . 1.27 110.249 178.318 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.808 H121 H212 ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.97 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.869 0.366 . . . . 1.11 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -93.38 -19.83 20.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 1.24 111.155 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.97 140.07 57.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.079 0.466 . . . . 0.26 112.075 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.85 166.63 11.9 Favored Glycine 0 N--CA 1.439 -1.162 0 C-N-CA 120.772 -0.728 . . . . 0.21 111.834 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -95.48 142.75 27.46 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.79 -0.819 . . . . 1.54 108.79 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 95.0 m-85 -124.75 144.08 50.44 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 121.115 -0.234 . . . . 1.29 110.864 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' A' ' 126' ' ' ILE . 14.4 mt-10 -118.44 156.68 28.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.059 -0.518 . . . . 1.41 110.198 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -63.5 108.99 1.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.94 -0.573 . . . . 1.86 110.649 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -102.14 -49.06 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 1.46 109.68 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -157.58 158.0 34.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.482 -0.326 . . . . 1.01 110.404 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -140.43 152.09 45.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.9 -0.778 . . . . 1.72 108.9 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -139.93 139.16 36.09 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.12 0.486 . . . . 1.44 110.876 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t30 58.72 49.6 9.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.602 -1.181 . . . . 0.84 111.559 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -75.39 -57.99 3.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.128 -0.487 . . . . 1.39 112.184 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.477 ' HA ' HG22 ' A' ' 18' ' ' VAL . 8.4 m-20 -56.84 -41.89 78.68 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.216 0.45 . . . . 1.3 112.216 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -38.91 88.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.403 0.62 . . . . 1.46 110.73 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.53 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 80.7 t80 -67.56 -52.78 34.66 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.336 -0.847 . . . . 1.24 110.839 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.4 m -64.34 -38.02 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.807 -0.633 . . . . 0.26 111.804 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -69.95 -28.91 65.96 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.043 -0.263 . . . . 1.18 111.049 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -75.53 -46.13 33.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.42 -0.354 . . . . 0.88 111.343 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 pt -73.02 -14.24 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.741 0.305 . . . . 0.39 111.715 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.49 33.93 26.88 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.091 -0.576 . . . . 0.39 112.308 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.62 HD23 HG12 ' A' ' 28' ' ' ILE . 21.0 tp -69.67 135.8 88.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.659 -0.497 . . . . 0.31 109.659 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.593 ' HD2' HD12 ' A' ' 23' ' ' LEU . 26.5 Cg_endo -64.62 139.11 62.21 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.125 1.883 . . . . 0.37 111.386 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.72 -37.76 59.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.076 0.465 . . . . 0.39 111.165 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.74 -38.52 69.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.25 -0.886 . . . . 2.03 111.728 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -90.17 -31.35 17.09 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 121.139 -0.224 . . . . 0.94 110.72 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.62 HG12 HD23 ' A' ' 23' ' ' LEU . 62.4 mt -57.68 -61.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.086 -0.506 . . . . 0.37 110.657 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -67.14 -24.44 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.518 -0.765 . . . . 1.73 111.339 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 tpt -74.94 -34.8 62.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.169 -0.468 . . . . 0.97 110.409 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.735 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -107.61 23.69 25.7 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.5 -0.857 . . . . 0.51 113.943 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -109.26 138.51 45.52 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 117.381 0.59 . . . . 2.27 110.833 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.22 25.09 10.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.676 -0.693 . . . . 1.78 111.033 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.2 m -98.49 154.52 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.927 -0.578 . . . . 1.16 110.224 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.06 88.51 7.72 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.497 0.554 . . . . 2.49 112.497 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 mp -94.46 123.49 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.245 -0.65 . . . . 0.66 109.245 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 t -92.65 140.94 15.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.622 -0.263 . . . . 0.37 110.361 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.3 m -116.9 106.79 13.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.121 -0.491 . . . . 0.33 110.023 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 9.6 mt-10 -95.54 110.58 22.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.87 0.367 . . . . 1.39 110.555 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 48' ' ' THR . 46.5 t -110.93 124.27 67.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 0.22 111.995 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG12 ' OG1' ' A' ' 48' ' ' THR . 6.8 p -117.27 136.19 55.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.199 -1.037 . . . . 0.95 108.199 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -103.28 121.17 42.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.268 0.556 . . . . 2.06 112.408 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -126.83 79.44 1.87 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.386 -0.968 . . . . 1.73 108.386 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.86 -94.52 0.98 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.84 -0.904 . . . . 0.4 110.84 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.2 6.6 9.13 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.646 -0.501 . . . . 0.43 109.646 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 34.2 t70 -96.92 109.69 22.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.401 -0.818 . . . . 1.36 109.741 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -108.23 142.38 38.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.126 -0.694 . . . . 1.0 109.126 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.481 ' OG1' HG12 ' A' ' 41' ' ' VAL . 82.4 p -112.32 136.0 52.3 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.395 -0.522 . . . . 0.56 111.915 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.569 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.5 OUTLIER -110.77 99.6 8.5 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.634 -0.876 . . . . 0.42 108.634 177.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.652 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.8 m -105.75 118.17 35.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.053 -0.522 . . . . 0.35 110.202 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.403 ' NE2' HG23 ' A' ' 38' ' ' THR . 5.4 mp0 -105.1 117.78 34.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.996 -0.372 . . . . 1.62 109.996 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -105.95 119.63 39.69 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.963 -0.562 . . . . 0.37 110.038 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 9.0 t80 -97.01 137.41 21.28 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.454 -0.794 . . . . 1.23 110.947 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 30.9 Cg_endo -65.61 113.85 2.67 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.448 2.099 . . . . 0.46 111.799 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.18 35.6 65.48 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.072 -0.585 . . . . 0.46 113.648 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.73 -164.38 11.0 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.395 -0.907 . . . . 0.41 112.841 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.52 145.96 48.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.648 0.261 . . . . 3.34 110.565 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -107.85 161.52 14.84 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.322 -0.399 . . . . 0.39 110.345 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.25 141.36 33.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.535 -0.302 . . . . 0.49 110.425 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.5 m -142.48 119.62 11.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.639 0.257 . . . . 0.31 110.97 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -126.26 122.01 34.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.347 0.594 . . . . 1.72 111.232 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.5 p -103.14 131.94 49.78 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.579 -0.737 . . . . 1.04 109.302 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.545 ' CZ ' ' H3 ' ' A' ' 201' ' ' CHO . 47.8 p90 -140.48 141.57 35.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.491 0.662 . . . . 0.88 111.969 -178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.485 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 55.3 m -107.11 126.62 52.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.628 -0.714 . . . . 0.25 109.279 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.423 HG21 ' HB2' ' A' ' 85' ' ' MET . 44.1 mm -55.15 126.8 13.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 120.674 0.273 . . . . 0.24 110.977 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.9 t70 75.83 22.06 1.54 Allowed 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.144 0.978 . . . . 1.1 110.395 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 31.0 tptt -137.12 147.28 45.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.422 -0.808 . . . . 1.59 110.259 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.5 mp0 -74.41 135.74 42.39 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.311 -0.625 . . . . 2.55 109.311 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -127.09 159.88 32.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.784 0.326 . . . . 0.31 111.508 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -101.08 121.66 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.433 -0.951 . . . . 1.95 108.433 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.604 ' SD ' H191 ' A' ' 201' ' ' CHO . 2.7 mtt -126.3 161.49 27.67 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.708 0.766 . . . . 0.26 112.387 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.701 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 7.6 tt0 -142.07 141.96 32.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.277 -1.329 . . . . 1.47 107.73 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.711 HG22 H162 ' A' ' 201' ' ' CHO . 51.8 p -86.73 -172.71 4.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.977 0.418 . . . . 0.36 110.814 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.766 ' HB2' ' H14' ' A' ' 200' ' ' CHO . 58.8 mtp -89.06 -6.7 56.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.99 -0.55 . . . . 1.05 109.684 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.34 -32.48 7.75 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.308 -0.717 . . . . 0.48 111.308 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.73 31.64 0.75 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.48 113.629 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.701 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 6.3 mtp180 -97.29 122.86 40.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.732 0.266 . . . . 0.85 110.61 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -100.43 122.2 42.79 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.262 -1.014 . . . . 1.76 108.262 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.844 ' HZ ' H181 ' A' ' 201' ' ' CHO . 43.3 p90 -156.71 176.87 12.16 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.758 -0.377 . . . . 1.17 111.659 -177.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.13 146.16 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.625 -0.509 . . . . 2.55 109.625 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.43 161.43 40.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.688 -0.233 . . . . 0.24 111.04 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -103.58 131.91 50.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.968 -0.382 . . . . 0.33 109.968 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.7 t -114.68 144.35 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.416 -0.357 . . . . 0.19 110.306 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -134.52 -179.49 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.625 -0.509 . . . . 1.14 109.625 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.423 ' HB2' HG21 ' A' ' 65' ' ' ILE . 1.8 mtt -131.27 134.15 46.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.486 0.184 . . . . 0.41 110.836 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -128.4 110.36 12.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 2.67 110.512 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.6 31.87 79.36 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 116.031 -0.531 . . . . 0.46 113.108 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.76 20.77 59.11 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 120.329 -0.939 . . . . 0.36 112.401 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -122.34 128.81 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.359 -0.608 . . . . 1.76 109.359 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' A' ' 100' ' ' THR . 1.7 mt -80.94 118.24 28.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.869 -0.332 . . . . 0.22 110.696 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.5 p -123.26 130.77 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.568 . . . . 0.25 110.859 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.683 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -111.22 140.34 45.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.821 -0.627 . . . . 0.25 110.831 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -90.5 121.63 32.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.001 0.429 . . . . 1.19 111.68 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.565 ' CE2' H111 ' A' ' 201' ' ' CHO . 71.0 m-85 -145.4 152.45 49.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.625 -0.716 . . . . 1.27 110.615 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.23 114.26 3.94 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.432 2.088 . . . . 0.36 111.275 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.671 ' O ' ' HA ' ' A' ' 114' ' ' SER . 2.5 m-20 64.13 19.06 11.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.921 -0.581 . . . . 1.5 111.128 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.735 ' CZ ' H213 ' A' ' 201' ' ' CHO . 5.5 t80 -139.52 123.36 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.225 -0.657 . . . . 1.31 109.225 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -121.13 103.34 8.93 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.403 -0.817 . . . . 1.09 108.969 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.748 ' CD2' ' H21' ' A' ' 201' ' ' CHO . 4.6 t60 -100.98 122.86 44.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.255 -0.43 . . . . 0.67 110.997 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 40.5 p -137.58 148.42 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.31 110.981 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -136.69 136.27 38.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.313 -0.403 . . . . 0.26 110.098 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -149.73 172.37 15.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 1.38 111.004 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 mm -113.49 124.17 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.496 -0.775 . . . . 0.37 110.39 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.9 t -95.28 -120.06 0.1 Allowed 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.803 -0.814 . . . . 1.37 108.803 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -80.2 61.84 4.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.469 -0.872 . . . . 0.96 111.003 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.15 21.59 77.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.03 -0.605 . . . . 0.5 111.806 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -130.91 146.61 52.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.032 0.444 . . . . 1.22 111.025 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.4 tm? -89.16 120.57 30.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.373 -0.831 . . . . 0.82 109.571 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 p -118.61 113.36 41.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 108.649 -0.871 . . . . 0.33 108.649 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.643 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 24.8 tt0 -96.57 137.22 35.98 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.006 -0.997 . . . . 1.69 110.304 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.89 125.03 69.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.951 -0.568 . . . . 0.37 110.77 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.1 m -124.48 114.3 19.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.847 -0.615 . . . . 0.37 109.91 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.703 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -103.01 133.38 48.24 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.291 -0.413 . . . . 0.27 110.335 179.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.671 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 0.2 OUTLIER -141.78 111.92 6.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.105 0.479 . . . . 1.43 110.463 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m 56.68 30.65 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.066 -0.97 . . . . 0.63 111.397 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.32 -35.34 5.11 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.506 -0.854 . . . . 0.46 113.159 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.91 126.04 29.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 117.1 0.45 . . . . 0.53 110.973 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.703 HG22 HG23 ' A' ' 113' ' ' THR . 21.8 t -103.32 117.17 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.982 -0.554 . . . . 0.97 111.142 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 20.1 t80 -104.4 125.25 50.44 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.127 -0.694 . . . . 1.22 109.127 178.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -123.78 147.29 47.67 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.078 0.466 . . . . 1.17 110.77 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.643 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -145.19 130.79 18.88 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.812 -0.631 . . . . 2.48 110.959 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.2 m -99.66 126.95 45.76 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.999 -0.546 . . . . 0.43 109.576 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 1.5 m -124.76 126.52 45.78 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.708 -0.397 . . . . 0.38 110.779 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 7.9 pttt -73.94 157.39 36.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.917 -0.583 . . . . 1.45 109.495 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -100.84 126.51 47.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.12 0.486 . . . . 1.45 111.032 -178.677 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.433 HD11 ' HB2' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -141.7 167.95 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.841 -0.618 . . . . 0.35 109.406 179.437 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.342 -0.837 . . . . 1.27 110.199 178.488 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.967 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.967 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.529 0.204 . . . . 1.11 110.752 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -62.5 -41.47 98.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.984 0.364 . . . . 1.24 111.984 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.4 m -55.2 142.8 29.85 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.283 0.563 . . . . 0.26 112.305 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.98 174.91 15.07 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.493 -0.86 . . . . 0.21 111.996 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -99.13 143.3 29.56 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.918 -0.771 . . . . 1.54 108.918 178.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CE2' ' HB2' ' A' ' 108' ' ' LEU . 63.1 m-85 -125.75 142.64 51.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.635 -0.257 . . . . 1.29 110.586 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -119.51 141.83 48.85 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.45 -0.204 . . . . 1.41 110.45 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 3.7 t80 -48.97 118.02 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.941 0.775 . . . . 1.86 111.431 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -110.44 -50.34 2.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.054 -0.521 . . . . 1.46 111.1 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.9 m -151.03 167.77 26.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.319 . . . . 1.01 111.506 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 1.8 p30 -151.96 159.02 43.89 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.811 -0.631 . . . . 1.72 109.779 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -144.43 138.49 27.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.908 -0.587 . . . . 1.44 110.295 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 60.17 34.77 21.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.936 -1.029 . . . . 0.84 112.266 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.421 ' O ' HG22 ' A' ' 18' ' ' VAL . 51.1 t80 -60.11 -61.5 2.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.44 . . . . 1.39 111.08 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.99 -42.29 79.98 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.078 -0.51 . . . . 1.3 111.742 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -47.73 83.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.098 0.475 . . . . 1.46 110.645 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CG ' ' HB2' ' A' ' 119' ' ' TYR . 64.4 t80 -62.65 -53.23 57.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.564 -0.744 . . . . 1.24 111.43 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 14' ' ' TYR . 32.2 m -59.78 -39.6 80.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 0.26 111.637 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -72.55 -24.31 61.11 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.832 0.349 . . . . 1.18 110.898 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -81.7 -45.75 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.445 . . . . 0.88 111.602 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.61 -17.56 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 111.782 0.29 . . . . 0.39 111.782 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.92 28.49 11.97 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.183 -1.008 . . . . 0.39 112.971 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.718 HD11 H152 ' A' ' 200' ' ' CHO . 15.0 tp -69.83 132.46 88.79 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.694 -0.484 . . . . 0.31 109.694 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.45 ' O ' HG13 ' A' ' 28' ' ' ILE . 30.6 Cg_endo -66.76 140.26 55.31 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.108 1.872 . . . . 0.37 111.767 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.1 -32.99 56.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.234 -0.439 . . . . 0.39 111.647 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -41.32 85.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.639 -0.709 . . . . 2.03 110.481 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -88.72 -31.22 18.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.671 -0.695 . . . . 0.94 110.892 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.568 HG12 HD23 ' A' ' 23' ' ' LEU . 57.3 mt -56.81 -56.65 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.37 111.218 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 4.1 mm-40 -71.15 -20.3 62.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.948 -0.569 . . . . 1.73 110.979 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.452 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 8.8 tpt -77.49 -37.43 51.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.712 -0.676 . . . . 0.97 110.632 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.779 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -104.42 27.87 17.41 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.837 -0.697 . . . . 0.51 113.884 -178.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' HD2' ' HA ' ' A' ' 29' ' ' GLU . 11.3 ptm180 -111.98 136.91 50.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.462 0.631 . . . . 2.27 110.507 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.25 21.19 10.61 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.674 -0.694 . . . . 1.78 110.738 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.5 m -92.04 137.15 32.6 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.798 -0.637 . . . . 1.16 110.358 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 81.26 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.651 . . . . 2.49 111.937 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.7 mm -77.53 128.06 38.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.924 -0.58 . . . . 0.66 110.031 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.467 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 5.2 t -101.82 120.72 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.018 -0.364 . . . . 0.37 110.018 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.682 ' HA ' ' O ' ' A' ' 50' ' ' THR . 25.9 m -103.37 105.42 15.68 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.055 -0.521 . . . . 0.33 110.076 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -97.98 117.79 33.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.822 0.344 . . . . 1.39 110.644 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.3 t -111.61 124.16 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.472 -0.786 . . . . 0.22 112.023 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 58.7 t -110.72 121.27 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 0.95 109.279 178.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.548 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 0.2 OUTLIER -84.01 119.09 24.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.948 0.404 . . . . 2.06 111.334 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -139.71 76.43 1.56 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.976 -0.557 . . . . 1.73 109.885 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.59 -95.5 0.79 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.759 -0.655 . . . . 0.4 111.776 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.71 2.42 8.2 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.071 0.462 . . . . 0.43 110.131 178.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 27.0 t70 -99.66 110.04 22.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 1.36 109.745 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.04 130.95 55.49 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.509 -0.552 . . . . 1.0 109.509 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -94.95 122.36 37.52 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 116.051 -0.522 . . . . 0.56 111.276 -179.367 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.587 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -101.71 100.87 11.29 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.751 -0.833 . . . . 0.42 108.751 178.525 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.682 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.9 m -101.29 127.1 48.05 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.85 -0.614 . . . . 0.35 110.405 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -114.31 116.24 28.65 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.594 -0.521 . . . . 1.62 109.594 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.467 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 84.3 m-70 -103.1 121.63 43.02 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.904 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.452 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 6.1 t80 -99.04 126.09 39.46 Favored Pre-proline 0 N--CA 1.441 -0.918 0 CA-C-N 115.499 -0.773 . . . . 1.23 109.298 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.94 112.23 1.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.092 1.861 . . . . 0.46 112.132 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.41 29.98 76.52 Favored Glycine 0 CA--C 1.522 0.473 0 CA-C-N 116.137 -0.483 . . . . 0.46 113.044 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.45 -166.02 12.24 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.013 -1.089 . . . . 0.41 113.701 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.87 147.66 51.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 3.34 111.312 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -105.78 156.86 17.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.178 -0.465 . . . . 0.39 110.342 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.66 113.65 11.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.485 -0.561 . . . . 0.49 109.485 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -125.4 115.85 20.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.944 0.402 . . . . 0.31 111.688 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -121.2 135.8 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.342 0.591 . . . . 1.72 110.019 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.6 p -111.67 128.02 55.94 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.298 -0.865 . . . . 1.04 109.252 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -136.67 139.55 42.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.199 0.523 . . . . 0.88 112.253 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 46' ' ' ASP . 18.4 m -107.05 131.75 53.74 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.911 -0.774 . . . . 0.25 108.911 178.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.7 mm -53.86 128.8 14.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 120.879 0.371 . . . . 0.24 111.313 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 70.21 27.62 4.12 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.361 -0.836 . . . . 1.1 109.943 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 64' ' ' THR . 11.8 tppt? -136.92 147.99 46.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.465 -0.789 . . . . 1.59 110.743 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -75.06 124.99 27.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.556 -0.905 . . . . 2.55 108.556 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -117.51 150.77 38.39 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.7 0.629 . . . . 0.31 112.7 -178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -83.45 121.2 26.87 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 107.695 -1.224 . . . . 1.95 107.695 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.565 ' SD ' ' HB3' ' A' ' 81' ' ' ALA . 41.7 mtt -125.55 164.41 20.58 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.934 0.716 . . . . 0.26 112.934 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.623 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 12.0 tt0 -159.93 138.86 10.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.701 -1.136 . . . . 1.47 109.038 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.809 HG22 H162 ' A' ' 201' ' ' CHO . 29.8 p -87.45 173.39 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.937 0.398 . . . . 0.36 110.104 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.714 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 7.2 ttm -78.76 -7.87 58.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.522 -0.548 . . . . 1.05 109.522 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.09 -19.09 54.45 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.722 -0.672 . . . . 0.48 111.691 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.29 22.46 6.15 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.914 -0.66 . . . . 0.48 113.366 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.623 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.1 mtp85 -94.08 120.77 34.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.517 0.658 . . . . 0.85 110.413 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.78 129.91 45.94 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.119 -0.697 . . . . 1.76 109.119 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.843 ' HZ ' H181 ' A' ' 201' ' ' CHO . 36.9 p90 -160.64 176.53 11.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.798 0.332 . . . . 1.17 110.456 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 79' ' ' PHE . 7.6 mmtt -131.67 141.33 49.56 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.744 -0.835 . . . . 2.55 108.744 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.565 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -151.06 162.45 40.84 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.552 0.215 . . . . 0.24 110.686 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 138.06 39.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.281 -0.418 . . . . 0.33 110.423 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 t -117.39 145.5 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.302 -0.408 . . . . 0.19 110.222 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' CG ' HG13 ' A' ' 91' ' ' VAL . 5.1 pttt -135.04 179.43 6.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.992 -0.373 . . . . 1.14 109.992 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 ttt -137.5 117.11 12.98 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.096 -0.242 . . . . 0.41 110.871 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -121.69 112.61 18.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.801 -0.181 . . . . 2.67 110.864 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.43 90.22 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 121.096 -0.574 . . . . 0.46 112.85 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.97 26.79 65.87 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.714 -0.755 . . . . 0.36 112.37 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -127.78 127.93 44.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.802 -0.444 . . . . 1.76 109.802 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mt -82.28 109.31 16.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.959 -0.385 . . . . 0.22 109.959 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.505 HG13 ' CG ' ' A' ' 84' ' ' LYS . 2.7 p -114.0 129.73 69.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.247 0.546 . . . . 0.25 110.791 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.598 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -106.76 142.53 36.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.827 -0.624 . . . . 0.25 110.11 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -96.66 121.49 38.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.132 0.492 . . . . 1.19 111.6 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.438 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 67.2 m-85 -144.16 157.52 56.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.348 -0.842 . . . . 1.27 111.356 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.86 120.44 3.83 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.66 2.24 . . . . 0.36 110.97 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.0 t30 62.94 21.26 12.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.56 0.695 . . . . 1.5 110.427 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.741 ' CE1' H213 ' A' ' 201' ' ' CHO . 3.4 t80 -146.08 128.81 16.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.765 -0.652 . . . . 1.31 110.401 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.431 ' O ' ' HA ' ' A' ' 112' ' ' SER . 27.3 t60 -126.57 104.07 7.92 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.824 -0.625 . . . . 1.09 109.326 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -109.45 118.08 35.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.682 0.277 . . . . 0.67 111.146 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.4 HG22 ' HB ' ' A' ' 91' ' ' VAL . 23.4 p -128.17 133.18 48.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.31 110.514 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.79 133.78 55.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.26 110.347 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -155.64 171.22 20.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.868 0.366 . . . . 1.38 110.892 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 15.1 mm -102.89 118.89 50.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.804 -0.634 . . . . 0.37 110.41 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.8 t -123.83 110.17 14.54 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.979 -0.378 . . . . 1.37 109.979 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.26 30.77 73.74 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.04 -0.6 . . . . 0.96 112.201 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.48 13.27 82.82 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.02 -0.609 . . . . 0.5 112.295 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -123.94 153.58 40.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 1.22 110.634 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.645 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 2.1 tm? -93.68 119.49 32.75 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.164 -0.68 . . . . 0.82 109.164 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.9 p -124.36 116.44 47.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.138 0.494 . . . . 0.33 109.747 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.472 ' HG3' ' CD1' ' A' ' 108' ' ' LEU . 28.7 mt-10 -102.39 134.47 45.65 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.946 -0.57 . . . . 1.69 110.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.95 121.71 67.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.732 -0.667 . . . . 0.37 109.276 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.5 m -122.16 104.66 9.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.3 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.85 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -92.22 137.59 32.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.03 -0.532 . . . . 0.27 110.959 179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 t -154.65 117.59 4.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.651 0.262 . . . . 1.43 110.377 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 m 57.85 32.24 21.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.72 -0.673 . . . . 0.63 111.997 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.67 -22.3 39.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.424 -0.893 . . . . 0.46 113.542 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.4 t -84.25 121.89 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 117.24 0.52 . . . . 0.53 110.412 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.85 HG22 HG23 ' A' ' 113' ' ' THR . 48.8 t -97.81 110.66 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.896 -0.593 . . . . 0.97 111.55 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.463 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 60.9 t80 -97.01 133.25 41.92 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.287 -0.635 . . . . 1.22 109.287 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -131.59 138.91 49.03 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.809 0.337 . . . . 1.17 111.031 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 128.97 31.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 2.48 110.132 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 16.4 m -109.52 132.6 53.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.082 -0.508 . . . . 0.43 110.35 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -129.08 140.64 51.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.083 -0.508 . . . . 0.38 109.953 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 23.8 pttt -90.3 156.43 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.001 -0.37 . . . . 1.45 110.001 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.13 134.15 36.88 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.423 0.63 . . . . 1.45 111.449 -177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.463 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -142.22 166.01 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 114.855 -1.066 . . . . 0.35 109.082 178.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.353 -0.832 . . . . 1.27 109.443 178.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.805 H121 H212 ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.843 H181 ' HZ ' ' A' ' 79' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.604 0.24 . . . . 1.11 110.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -102.26 -23.92 13.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.591 -0.277 . . . . 1.24 111.346 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.4 m -64.36 138.06 58.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.956 0.408 . . . . 0.26 110.556 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.514 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 137.55 168.11 11.25 Favored Glycine 0 N--CA 1.435 -1.4 0 C-N-CA 120.201 -1.0 . . . . 0.21 112.34 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 145.03 27.03 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.06 -1.089 . . . . 1.54 108.06 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 91.7 m-85 -126.39 141.78 51.77 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.586 0.232 . . . . 1.29 110.984 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 74.9 mt-10 -121.77 150.53 41.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.879 -0.6 . . . . 1.41 109.465 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -54.85 131.68 44.72 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.53 0.519 . . . . 1.86 111.26 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' A' ' 122' ' ' THR . 0.7 OUTLIER -126.72 -57.39 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.548 -0.751 . . . . 1.46 110.557 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -153.7 163.83 39.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.172 -0.467 . . . . 1.01 110.963 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 1.2 p30 -152.45 155.03 36.71 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.451 -0.574 . . . . 1.72 109.451 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -140.55 138.53 34.58 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.218 -0.446 . . . . 1.44 110.051 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 t30 61.75 49.28 4.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.942 -1.026 . . . . 0.84 111.431 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.422 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 7.3 t80 -77.18 -56.03 4.92 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.33 -0.395 . . . . 1.39 111.709 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.415 ' CG ' HH22 ' A' ' 32' ' ' ARG . 3.4 m-20 -58.34 -42.94 87.97 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.147 0.425 . . . . 1.3 112.147 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -39.41 94.13 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.996 0.427 . . . . 1.46 110.933 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 89.3 t80 -64.97 -53.99 37.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.511 -0.768 . . . . 1.24 111.278 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.7 m -62.69 -35.63 71.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.26 111.919 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.84 -24.76 63.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.379 . . . . 1.18 110.327 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 117' ' ' VAL . 0.9 OUTLIER -78.8 -54.3 6.22 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.735 -0.666 . . . . 0.88 111.609 -179.35 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 pt -69.32 -6.38 6.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.39 -0.823 . . . . 0.39 111.178 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.1 39.82 62.53 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.488 -0.863 . . . . 0.39 112.988 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.704 HD11 H152 ' A' ' 200' ' ' CHO . 17.9 tp -72.47 132.77 83.45 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 109.637 -0.505 . . . . 0.31 109.637 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' HD12 ' A' ' 23' ' ' LEU . 32.5 Cg_endo -65.53 142.24 70.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.064 1.843 . . . . 0.37 111.71 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.28 -34.91 59.26 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.06 0.457 . . . . 0.39 111.292 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -39.96 80.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.283 -0.872 . . . . 2.03 110.821 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' HD2' H222 ' A' ' 200' ' ' CHO . 75.9 mmtt -88.85 -32.15 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.94 110.864 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.529 HG12 HD23 ' A' ' 23' ' ' LEU . 55.8 mt -57.59 -58.94 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.37 111.166 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -66.38 -30.6 71.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.918 -0.583 . . . . 1.73 110.798 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.452 ' HG2' H231 ' A' ' 200' ' ' CHO . 10.6 tpt -68.14 -40.67 82.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.296 -0.866 . . . . 0.97 111.133 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.678 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -102.78 27.94 18.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.02 -0.609 . . . . 0.51 113.911 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.415 HH22 ' CG ' ' A' ' 15' ' ' ASP . 9.6 ptm180 -125.35 144.33 50.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.441 -0.577 . . . . 2.27 109.441 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.95 14.02 9.02 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.624 0.578 . . . . 1.78 110.736 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -97.18 156.94 16.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.058 -0.519 . . . . 1.16 111.248 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HG2' ' H ' ' A' ' 35' ' ' LYS . 24.9 pttt -88.12 88.08 7.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.418 0.628 . . . . 2.49 111.006 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.8 mm -87.98 122.91 40.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.81 -0.632 . . . . 0.66 110.189 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 25.4 t -102.87 125.8 57.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.314 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.624 ' HA ' ' O ' ' A' ' 50' ' ' THR . 98.6 m -111.07 109.64 19.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.092 -0.504 . . . . 0.33 109.764 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -100.23 117.77 35.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.869 0.366 . . . . 1.39 110.248 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 48' ' ' THR . 67.7 t -112.35 134.64 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.713 -0.676 . . . . 0.22 111.3 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.5 t -119.68 134.16 64.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.939 -0.573 . . . . 0.95 110.316 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.492 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 6.0 tp-100 -81.82 130.22 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 2.06 110.105 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -151.64 74.91 1.14 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.82 -0.437 . . . . 1.73 109.82 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.12 -92.06 0.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.878 -0.677 . . . . 0.4 111.413 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.88 10.47 3.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.193 0.52 . . . . 0.43 109.936 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -107.25 108.4 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.355 -0.838 . . . . 1.36 109.299 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -100.02 134.62 42.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.997 0.427 . . . . 1.0 110.768 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.574 HG22 ' OG ' ' A' ' 62' ' ' SER . 32.7 p -94.86 123.9 38.6 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.844 -0.616 . . . . 0.56 110.332 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.528 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -108.41 102.15 11.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.359 -0.608 . . . . 0.42 109.359 178.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.4 m -105.3 118.82 37.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.369 -0.378 . . . . 0.35 111.285 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -105.7 119.17 38.46 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 110.078 -0.341 . . . . 1.62 110.078 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.47 129.55 49.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.085 0.469 . . . . 0.37 110.547 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CE2' H232 ' A' ' 200' ' ' CHO . 2.2 t80 -111.42 120.04 43.73 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.387 -0.824 . . . . 1.23 110.148 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.49 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 33.5 Cg_endo -63.8 113.94 2.37 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.455 2.104 . . . . 0.46 111.518 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.49 31.9 82.4 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.708 -0.678 . . . . 0.46 112.378 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.422 ' HA3' ' CD2' ' A' ' 53' ' ' PHE . . . -147.31 -164.68 11.32 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.367 -0.921 . . . . 0.41 113.026 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.8 145.92 34.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 3.34 111.404 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 t -103.68 160.29 14.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.033 0.444 . . . . 0.39 110.946 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.23 131.97 21.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.012 -0.54 . . . . 0.49 110.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -137.07 117.88 14.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.698 0.285 . . . . 0.31 110.617 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -129.19 126.56 39.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.084 0.469 . . . . 1.72 110.469 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.574 ' OG ' HG22 ' A' ' 48' ' ' THR . 48.7 m -110.21 132.96 53.71 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.087 -0.709 . . . . 1.04 109.087 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.659 ' CD1' ' H5 ' ' A' ' 201' ' ' CHO . 46.5 p90 -133.11 145.41 50.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.095 0.474 . . . . 0.88 112.029 -177.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.476 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 65.1 m -107.4 128.4 54.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.678 -0.692 . . . . 0.25 109.564 178.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.401 HG23 ' HA ' ' A' ' 84' ' ' LYS . 45.3 mm -55.46 127.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.24 110.878 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.4 t70 74.85 21.75 2.02 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.197 0.999 . . . . 1.1 110.636 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HE2' ' O ' ' A' ' 68' ' ' GLU . 17.0 tptm -136.81 140.9 42.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.787 -0.642 . . . . 1.59 110.175 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 67' ' ' LYS . 28.5 tt0 -75.99 122.69 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.533 -0.543 . . . . 2.55 109.533 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -111.88 158.79 19.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.27 -0.423 . . . . 0.31 111.208 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.24 119.17 31.09 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.12 -1.067 . . . . 1.95 108.12 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.626 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 7.4 mtt -122.26 162.88 20.62 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.638 0.732 . . . . 0.26 112.258 -178.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 17.9 tt0 -149.85 142.39 24.43 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.654 -1.157 . . . . 1.47 108.254 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.93 HG22 H162 ' A' ' 201' ' ' CHO . 26.4 p -97.84 175.38 6.18 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.666 -0.494 . . . . 0.36 109.666 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.802 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 31.6 mtt -74.21 -12.52 60.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.41 -0.589 . . . . 1.05 109.41 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.25 -10.33 83.83 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 111.179 -0.769 . . . . 0.48 111.179 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.57 20.97 30.31 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.296 -0.478 . . . . 0.48 112.845 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 8.5 mtp180 -82.13 124.28 29.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.815 0.308 . . . . 0.85 111.059 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -98.81 122.2 41.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.281 -0.637 . . . . 1.76 109.281 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.825 ' HZ ' H181 ' A' ' 201' ' ' CHO . 48.0 p90 -160.74 175.0 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.468 0.544 . . . . 1.17 112.468 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.87 147.08 48.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.579 -0.737 . . . . 2.55 109.36 178.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.8 159.5 41.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.951 0.405 . . . . 0.24 111.736 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.93 124.06 43.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 0.33 109.78 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.3 t -110.01 138.15 39.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.628 -0.26 . . . . 0.19 110.493 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG3' HG13 ' A' ' 91' ' ' VAL . 16.0 pttt -127.74 -179.16 4.79 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.826 -0.435 . . . . 1.14 109.826 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.9 mtt -130.86 131.38 44.53 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 121.144 -0.222 . . . . 0.41 110.53 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.55 91.85 3.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.961 0.41 . . . . 2.67 111.199 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.67 53.29 44.77 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 115.978 -0.555 . . . . 0.46 113.408 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.68 18.47 79.69 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.837 -0.697 . . . . 0.36 113.169 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -127.08 116.09 20.16 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.117 -0.697 . . . . 1.76 109.117 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.6 mt -73.8 117.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 110.367 -0.234 . . . . 0.22 110.367 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.49 HG13 ' HG3' ' A' ' 84' ' ' LYS . 2.7 p -117.75 129.54 74.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.45 0.643 . . . . 0.25 111.346 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.593 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -115.0 137.53 51.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.659 -0.701 . . . . 0.25 109.822 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -103.7 123.56 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.026 0.441 . . . . 1.19 111.32 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.511 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 87.7 m-85 -137.47 156.53 74.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.604 -0.725 . . . . 1.27 110.084 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.01 113.21 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.169 1.913 . . . . 0.36 111.943 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 59.29 21.36 9.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.679 -0.691 . . . . 1.5 111.539 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.676 ' CE1' H213 ' A' ' 201' ' ' CHO . 3.6 t80 -140.95 124.85 17.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.843 -0.617 . . . . 1.31 109.954 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.508 ' O ' ' HA ' ' A' ' 112' ' ' SER . 23.5 t60 -123.94 121.58 35.67 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.126 -0.488 . . . . 1.09 110.069 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.529 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 12.4 t60 -121.78 122.12 38.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.287 0.367 . . . . 0.67 111.035 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.9 p -128.85 132.0 47.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.162 -0.472 . . . . 0.31 110.453 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.84 137.56 51.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.226 -0.443 . . . . 0.26 110.367 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -157.35 175.82 13.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 1.38 111.104 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.8 mm -114.86 114.42 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.048 -0.524 . . . . 0.37 109.738 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.7 p -92.86 78.73 4.72 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.256 0.551 . . . . 1.37 110.434 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.5 -63.21 4.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.808 -0.71 . . . . 0.96 111.737 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -160.17 22.33 0.26 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.927 -0.654 . . . . 0.5 111.66 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -135.9 151.69 50.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.838 0.351 . . . . 1.22 110.558 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.0 tm? -91.64 122.34 34.12 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.105 -0.702 . . . . 0.82 109.105 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.6 p -127.48 121.22 56.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.333 0.587 . . . . 0.33 110.085 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -108.3 134.47 51.08 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.485 -0.779 . . . . 1.69 110.099 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 4.7 mp -113.52 126.28 70.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.827 -0.624 . . . . 0.37 109.678 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 2.0 m -126.8 108.37 10.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.126 -0.488 . . . . 0.37 110.446 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.665 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -93.94 133.71 37.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.915 -0.584 . . . . 0.27 110.022 179.191 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.8 p -131.21 96.71 4.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.985 0.422 . . . . 1.43 111.03 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.5 m 57.84 32.44 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.511 -0.768 . . . . 0.63 111.626 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.18 -44.07 1.47 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.662 -0.78 . . . . 0.46 113.585 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 70.4 t -69.17 124.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.028 0.442 . . . . 0.53 111.04 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.665 HG22 HG23 ' A' ' 113' ' ' THR . 46.0 t -100.1 110.78 27.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.699 -0.682 . . . . 0.97 111.31 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.414 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 41.6 t80 -98.6 134.85 40.97 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.866 -0.79 . . . . 1.22 108.866 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -133.98 140.34 46.67 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 120.623 0.249 . . . . 1.17 110.93 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.522 HH12 ' C3 ' ' A' ' 200' ' ' CHO . 15.4 ptt-85 -137.5 136.98 38.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.105 0.479 . . . . 2.48 110.126 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.499 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 90.5 m -113.13 125.82 54.78 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.585 -0.734 . . . . 0.43 109.957 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.5 m -124.89 141.32 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.147 -0.478 . . . . 0.38 110.573 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.404 ' HE2' ' HB2' ' A' ' 7' ' ' GLU . 12.9 pttm -81.46 155.29 25.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.977 -0.556 . . . . 1.45 110.359 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.588 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -101.08 124.84 47.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.299 0.571 . . . . 1.45 110.422 -179.696 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.1 OUTLIER -141.25 168.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.069 -1.086 . . . . 0.35 108.069 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.516 -0.754 . . . . 1.27 110.286 178.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.889 ' C7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.93 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.582 0.23 . . . . 1.11 110.796 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -92.39 -23.4 19.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.561 -0.29 . . . . 1.24 110.982 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -63.62 145.95 54.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.077 -0.511 . . . . 0.26 112.045 -179.37 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 126.55 170.81 12.99 Favored Glycine 0 N--CA 1.438 -1.176 0 C-N-CA 120.54 -0.838 . . . . 0.21 112.406 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 6.9 ptmt -99.97 143.23 30.42 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.331 -0.989 . . . . 1.54 108.331 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 84.9 m-85 -125.77 146.67 49.67 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.633 0.254 . . . . 1.29 110.696 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -126.02 154.55 42.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.248 -0.433 . . . . 1.41 110.54 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -56.19 116.71 3.19 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 123.806 0.691 . . . . 1.86 111.083 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.9 tp10 -114.16 -55.26 2.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.138 -0.483 . . . . 1.46 110.541 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 m -146.82 156.83 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.56 -0.291 . . . . 1.01 111.01 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -145.21 155.02 43.01 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.753 -0.462 . . . . 1.72 109.753 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -148.1 139.91 23.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.192 -0.458 . . . . 1.44 110.172 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 60.63 48.08 7.66 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.601 -0.727 . . . . 0.84 111.373 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -76.4 -56.17 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.715 0.293 . . . . 1.39 111.008 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.414 ' HA ' HG22 ' A' ' 18' ' ' VAL . 11.5 m-20 -57.98 -46.12 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.966 -0.561 . . . . 1.3 111.22 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.16 -40.91 82.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.154 0.502 . . . . 1.46 110.557 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.588 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 87.2 t80 -65.05 -55.59 18.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.258 -0.883 . . . . 1.24 110.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 15' ' ' ASP . 28.5 m -61.99 -34.91 65.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 0.26 111.85 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -72.89 -28.44 62.49 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.85 -0.34 . . . . 1.18 111.271 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -77.78 -39.36 44.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.581 -0.281 . . . . 0.88 111.184 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 17' ' ' PHE . 17.0 pt -80.97 -6.48 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.489 -0.323 . . . . 0.39 111.748 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.3 37.8 58.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.667 -0.778 . . . . 0.39 113.155 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.729 HD12 ' HD2' ' A' ' 24' ' ' PRO . 25.2 tp -73.51 136.3 78.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.117 -0.327 . . . . 0.31 110.117 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.729 ' HD2' HD12 ' A' ' 23' ' ' LEU . 33.6 Cg_endo -66.93 141.23 57.73 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.57 2.18 . . . . 0.37 111.74 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.08 -35.56 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.39 111.353 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -41.32 71.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 2.03 111.562 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -88.92 -33.84 17.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.991 -0.549 . . . . 0.94 110.717 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.562 HG12 HD23 ' A' ' 23' ' ' LEU . 59.4 mt -56.89 -53.3 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.16 0.505 . . . . 0.37 110.841 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -73.85 -18.41 60.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.775 -0.648 . . . . 1.73 111.356 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.411 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 11.2 tpt -82.29 -31.91 29.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.155 -0.475 . . . . 0.97 110.522 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.629 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -111.57 29.8 8.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.834 -0.698 . . . . 0.51 114.165 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -112.65 136.87 51.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.991 0.895 . . . . 2.27 110.751 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 62.51 15.45 7.87 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.503 -0.771 . . . . 1.78 111.176 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -87.36 152.22 22.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.124 -0.489 . . . . 1.16 110.5 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 92.06 8.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.102 0.477 . . . . 2.49 111.39 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' HIS . 3.5 mp -91.23 117.11 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.131 -0.692 . . . . 0.66 109.131 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -86.53 136.38 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.314 -0.403 . . . . 0.37 110.377 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 50' ' ' THR . 97.9 m -118.62 106.25 12.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.649 -0.25 . . . . 0.33 110.835 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -95.15 119.77 34.23 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.95 -0.389 . . . . 1.39 109.95 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 48' ' ' THR . 57.5 t -114.46 129.66 70.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 123.507 0.505 . . . . 0.22 111.72 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.477 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 47.9 t -114.4 128.54 71.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.627 -0.879 . . . . 0.95 108.627 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.577 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 9.3 tt0 -86.7 108.2 18.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.251 0.548 . . . . 2.06 111.072 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -120.81 73.55 1.02 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.501 -0.772 . . . . 1.73 109.328 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.18 -102.38 0.78 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 111.095 -0.802 . . . . 0.4 111.095 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.82 11.38 15.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.686 0.755 . . . . 0.43 109.237 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 27.7 t70 -109.12 111.06 22.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.64 -1.163 . . . . 1.36 109.368 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -108.23 129.13 55.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.239 0.542 . . . . 1.0 110.635 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.477 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -92.12 117.65 30.06 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.783 -0.644 . . . . 0.56 111.137 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -99.39 104.81 16.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.109 0.481 . . . . 0.42 109.748 179.181 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.72 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.6 m -106.88 119.23 38.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 0.35 110.789 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.418 ' NE2' HG23 ' A' ' 38' ' ' THR . 3.7 mp0 -109.73 118.48 36.65 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.24 0.338 . . . . 1.62 110.302 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 96.7 m-70 -107.2 132.16 53.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.022 0.439 . . . . 0.37 110.609 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 9.4 t80 -105.98 137.41 19.36 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.603 -0.726 . . . . 1.23 110.663 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.25 114.68 3.7 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.296 1.997 . . . . 0.46 111.84 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.42 30.57 76.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.974 -0.631 . . . . 0.46 112.707 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.38 -164.64 11.08 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.364 -0.922 . . . . 0.41 113.216 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.47 146.12 40.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.124 0.487 . . . . 3.34 111.699 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 t -100.74 159.43 15.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.127 -0.488 . . . . 0.39 110.406 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.55 136.7 39.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.823 -0.626 . . . . 0.49 109.494 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -147.17 117.99 7.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.92 0.39 . . . . 0.31 111.323 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.482 ' ND2' ' H61' ' A' ' 201' ' ' CHO . 0.2 OUTLIER -131.4 128.21 39.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.274 0.559 . . . . 1.72 110.624 179.196 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.457 ' HB3' HG22 ' A' ' 48' ' ' THR . 64.0 p -101.27 140.33 35.71 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.251 -0.886 . . . . 1.04 109.379 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 51.8 p90 -142.75 145.98 33.84 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.64 -0.424 . . . . 0.88 111.256 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 55.5 m -112.03 131.28 55.51 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.21 -0.663 . . . . 0.25 109.21 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.0 mm -55.26 128.5 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 120.744 0.307 . . . . 0.24 110.967 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 71.37 23.19 4.02 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.032 0.933 . . . . 1.1 110.317 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.8 tptt -136.87 144.39 43.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.418 -0.81 . . . . 1.59 110.059 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -78.17 139.45 38.97 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.547 -0.538 . . . . 2.55 109.547 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.53 150.03 51.92 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.537 0.569 . . . . 0.31 112.537 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.2 114.65 20.86 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.345 -0.843 . . . . 1.95 108.796 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.545 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.2 mtt -117.08 168.78 9.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.525 0.679 . . . . 0.26 112.38 -177.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.588 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 8.4 tt0 -156.57 141.92 17.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.839 -1.073 . . . . 1.47 108.592 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.76 HG22 H162 ' A' ' 201' ' ' CHO . 30.8 p -100.87 174.21 6.14 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.802 -0.359 . . . . 0.36 110.204 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.671 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 44.8 mtt -72.81 -14.44 61.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.987 0.422 . . . . 1.05 110.387 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.59 -7.69 84.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.139 -0.553 . . . . 0.48 111.999 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.45 27.16 12.13 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.71 -0.757 . . . . 0.48 112.823 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.588 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 7.5 mtp85 -90.92 121.9 33.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.949 0.374 . . . . 0.85 110.23 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -100.4 121.74 42.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.812 -0.81 . . . . 1.76 108.812 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.827 ' HZ ' H181 ' A' ' 201' ' ' CHO . 48.2 p90 -157.29 173.6 16.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.238 0.542 . . . . 1.17 112.269 -177.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 138.7 46.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.876 -0.787 . . . . 2.55 108.876 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.23 162.3 41.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.741 0.305 . . . . 0.24 111.187 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -102.48 140.43 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.291 -0.413 . . . . 0.33 110.096 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.76 145.27 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.129 -0.487 . . . . 0.19 110.169 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -136.79 174.41 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.93 -0.396 . . . . 1.14 109.93 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.4 ' HE2' HG12 ' A' ' 90' ' ' ILE . 1.7 mtt -129.5 133.44 47.27 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.119 -0.326 . . . . 0.41 110.119 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -135.72 103.18 5.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.993 0.425 . . . . 2.67 111.131 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.75 36.24 61.83 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.885 -0.598 . . . . 0.46 113.076 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.68 23.67 66.73 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.952 -0.642 . . . . 0.36 112.54 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -127.56 127.11 43.37 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.535 -0.543 . . . . 1.76 109.535 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' THR . 2.2 mt -82.57 114.31 23.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.926 -0.398 . . . . 0.22 109.926 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.5 p -117.55 131.94 68.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.424 0.631 . . . . 0.25 110.787 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.811 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -107.56 144.17 34.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.553 -0.748 . . . . 0.25 110.244 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -97.3 121.56 39.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.444 -0.343 . . . . 1.19 110.87 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.541 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 70.5 m-85 -147.78 153.61 42.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.52 -0.764 . . . . 1.27 110.518 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.43 114.22 3.74 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.272 1.981 . . . . 0.36 110.92 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 65.08 10.59 6.46 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.249 0.62 . . . . 1.5 111.768 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.604 ' CZ ' H213 ' A' ' 201' ' ' CHO . 5.8 t80 -127.78 128.51 45.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.228 -0.656 . . . . 1.31 109.228 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.736 ' O ' ' HA ' ' A' ' 112' ' ' SER . 75.4 t60 -125.8 100.85 6.59 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.257 -0.883 . . . . 1.09 109.498 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.843 ' ND1' H122 ' A' ' 201' ' ' CHO . 6.0 t60 -99.23 120.98 40.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.67 110.717 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 20.3 p -134.76 128.79 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.997 0.427 . . . . 0.31 111.542 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.34 130.92 54.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.727 -0.67 . . . . 0.26 110.879 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -150.18 172.36 15.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 1.38 110.808 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 44.5 mm -111.03 119.08 58.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.026 -0.731 . . . . 0.37 109.026 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.8 m -131.2 107.25 8.87 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 110.185 -0.302 . . . . 1.37 110.185 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 78.37 28.29 55.92 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.457 -0.657 . . . . 0.96 111.457 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.31 27.09 66.59 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.229 -0.51 . . . . 0.5 111.94 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -138.44 144.3 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.75 0.31 . . . . 1.22 111.257 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 3.1 tm? -82.69 113.8 20.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.962 -0.755 . . . . 0.82 108.962 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.18 108.34 23.62 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 109.004 -0.739 . . . . 0.33 109.004 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -96.61 137.2 36.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.608 -0.724 . . . . 1.69 110.131 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.42 119.98 56.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.517 -0.765 . . . . 0.37 109.07 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.736 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 0.0 OUTLIER -128.42 116.72 20.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.798 -0.637 . . . . 0.37 110.886 -177.675 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.591 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -89.05 139.97 29.92 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.654 -0.703 . . . . 0.27 110.884 179.475 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.4 p -130.96 96.09 3.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.78 -0.646 . . . . 1.43 110.242 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.0 m 54.02 30.88 12.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.711 -0.677 . . . . 0.63 111.667 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 116.28 -28.76 7.39 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.431 -0.89 . . . . 0.46 113.125 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -80.55 124.58 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.084 0.442 . . . . 0.53 110.481 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.557 HG22 HG23 ' A' ' 113' ' ' THR . 52.0 t -98.42 110.46 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.975 0.417 . . . . 0.97 111.616 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -98.08 130.98 44.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.532 -0.758 . . . . 1.22 109.762 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -126.89 144.65 50.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.888 0.375 . . . . 1.17 111.39 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.434 ' NH1' ' H22' ' A' ' 200' ' ' CHO . 16.8 ptt180 -144.92 121.79 11.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.233 -0.44 . . . . 2.48 111.078 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.449 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 20.9 m -98.75 129.25 45.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.927 -0.579 . . . . 0.43 110.002 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 m -124.59 139.47 53.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.475 -0.329 . . . . 0.38 110.703 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 17.7 pttm -82.8 150.25 26.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.287 -0.415 . . . . 1.45 110.04 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.531 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -96.57 123.65 40.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.136 0.493 . . . . 1.45 110.53 -179.643 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -139.24 168.99 17.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.78 -0.646 . . . . 0.35 109.504 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 119.125 -0.464 . . . . 1.27 110.114 178.808 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.836 H121 H212 ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.843 H122 ' ND1' ' A' ' 99' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.41 0.148 . . . . 1.11 111.186 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -93.51 -22.23 18.98 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.951 -0.299 . . . . 1.24 111.464 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.456 HG23 ' HA ' ' A' ' 41' ' ' VAL . 0.6 OUTLIER -68.08 139.09 56.21 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.74 0.305 . . . . 0.26 111.259 -179.437 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 170.6 11.91 Favored Glycine 0 N--CA 1.439 -1.131 0 C-N-CA 120.906 -0.664 . . . . 0.21 111.993 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -97.32 142.96 28.56 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.558 -0.905 . . . . 1.54 108.558 178.099 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.483 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 80.4 m-85 -128.09 140.58 51.87 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.694 -0.23 . . . . 1.29 110.397 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -124.32 142.09 51.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 1.41 110.944 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -47.92 119.37 2.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 114.956 -1.02 . . . . 1.86 111.799 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.4 -50.85 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 1.46 110.783 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -147.86 157.67 43.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.569 -0.287 . . . . 1.01 110.827 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -147.04 155.18 42.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.568 -0.53 . . . . 1.72 109.568 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 24.3 tt0 -147.35 137.41 23.1 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.999 -0.546 . . . . 1.44 110.02 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 64.06 37.52 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.247 -0.888 . . . . 0.84 111.257 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -64.69 -62.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 1.39 110.992 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.527 ' HA ' HG22 ' A' ' 18' ' ' VAL . 7.5 m-20 -57.93 -40.1 79.63 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.315 -0.402 . . . . 1.3 110.963 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -43.79 94.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.095 0.474 . . . . 1.46 110.513 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.445 ' O ' HG12 ' A' ' 21' ' ' ILE . 63.1 t80 -66.12 -52.63 46.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.654 -0.703 . . . . 1.24 111.297 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.4 m -62.38 -34.86 66.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.26 111.622 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.68 -25.04 58.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.991 0.424 . . . . 1.18 110.405 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tptt -80.85 -44.0 19.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 0.88 111.451 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 17' ' ' PHE . 14.6 pt -77.96 -6.56 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.895 0.331 . . . . 0.39 111.895 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.49 32.29 42.74 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.098 -0.572 . . . . 0.39 113.544 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.752 HD11 H152 ' A' ' 200' ' ' CHO . 17.8 tp -71.68 132.21 85.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.886 0.343 . . . . 0.31 110.251 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' HD12 ' A' ' 23' ' ' LEU . 31.1 Cg_endo -65.2 140.23 63.93 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 121.878 1.718 . . . . 0.37 111.553 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.91 -39.58 54.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.775 0.658 . . . . 0.39 112.775 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 30' ' ' MET . 1.4 m-20 -62.3 -32.81 73.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.59 -0.277 . . . . 2.03 111.616 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 61.3 mmtt -86.49 -30.8 21.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.711 -0.478 . . . . 0.94 109.711 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.6 HG12 HD23 ' A' ' 23' ' ' LEU . 75.3 mt -61.53 -60.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.501 -0.772 . . . . 0.37 110.613 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -62.86 -24.68 67.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.587 -0.733 . . . . 1.73 111.295 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 7.8 tpt -73.46 -45.72 52.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.439 -0.8 . . . . 0.97 110.342 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.602 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -97.73 25.65 26.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.51 114.076 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -114.18 142.8 45.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 117.439 0.619 . . . . 2.27 110.875 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 60.04 19.62 8.78 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.106 -0.952 . . . . 1.78 110.475 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.7 m -98.8 138.71 35.56 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.485 -0.78 . . . . 1.16 110.415 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 89.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 2.49 111.405 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mm -85.5 122.02 37.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.019 -0.537 . . . . 0.66 109.911 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.7 t -100.0 131.41 47.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.88 -0.415 . . . . 0.37 109.88 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.673 ' HA ' ' O ' ' A' ' 50' ' ' THR . 52.0 m -113.87 108.98 17.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.33 110.342 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -97.42 116.52 29.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.883 -0.414 . . . . 1.39 109.883 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 48' ' ' THR . 79.1 t -111.22 129.98 65.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 123.534 0.521 . . . . 0.22 111.104 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.456 ' HA ' HG23 ' A' ' 3' ' ' THR . 89.5 t -120.64 134.9 62.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.289 -1.004 . . . . 0.95 108.289 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -98.25 115.57 28.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.176 0.512 . . . . 2.06 111.377 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -128.06 81.6 2.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.639 -0.71 . . . . 1.73 109.569 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.31 -91.98 0.75 Allowed Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.96 -0.856 . . . . 0.4 110.96 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' OD1' ' HB ' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -133.61 10.11 4.0 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.241 -0.651 . . . . 0.43 109.241 178.015 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 18.8 t70 -105.4 109.35 21.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.252 -0.885 . . . . 1.36 109.032 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -100.03 130.8 46.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.931 0.396 . . . . 1.0 110.171 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 73.2 p -93.46 121.07 34.48 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.936 -0.575 . . . . 0.56 110.726 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.659 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -103.31 109.25 20.79 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.647 -0.501 . . . . 0.42 109.647 178.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.673 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.5 m -111.36 120.36 41.95 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.042 -0.526 . . . . 0.35 110.99 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -109.66 117.95 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.925 0.393 . . . . 1.62 110.074 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -101.62 134.11 45.27 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.93 -0.577 . . . . 0.37 110.522 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 3.7 t80 -112.2 125.24 30.48 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 115.093 -0.958 . . . . 1.23 109.965 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.7 Cg_endo -62.71 115.22 2.78 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.471 2.114 . . . . 0.46 112.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.99 28.55 72.96 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.899 -0.591 . . . . 0.46 113.263 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.5 -165.57 11.95 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.358 -0.925 . . . . 0.41 113.303 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.42 143.84 46.59 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.1 0.476 . . . . 3.34 111.798 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.0 t -104.1 159.46 15.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.877 -0.602 . . . . 0.39 110.082 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.99 139.16 42.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.18 -0.304 . . . . 0.49 110.18 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -145.71 114.3 6.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.861 0.362 . . . . 0.31 111.406 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.8 129.45 44.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.146 0.498 . . . . 1.72 110.693 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.8 p -105.54 141.47 36.96 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.432 -0.804 . . . . 1.04 109.544 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.602 ' CE1' ' H5 ' ' A' ' 201' ' ' CHO . 45.1 p90 -140.91 141.72 34.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.095 0.474 . . . . 0.88 112.185 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.553 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 52.0 m -104.85 130.75 52.93 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.134 -0.691 . . . . 0.25 109.134 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.558 HG23 ' HA ' ' A' ' 84' ' ' LYS . 45.4 mm -57.01 124.37 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.042 0.448 . . . . 0.24 110.955 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 t0 73.26 27.8 1.9 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.93 -1.032 . . . . 1.1 109.923 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 43.6 tptt -139.36 147.72 41.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.273 -0.876 . . . . 1.59 110.577 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.93 139.81 55.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.066 -0.716 . . . . 2.55 109.066 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -134.41 141.51 46.85 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.311 0.577 . . . . 0.31 112.376 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.43 113.49 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.72 -1.127 . . . . 1.95 108.466 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.506 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 27.1 mtt -119.73 169.93 9.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.428 0.632 . . . . 0.26 112.495 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.601 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 7.1 tt0 -158.71 140.71 13.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.668 -1.151 . . . . 1.47 108.338 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.839 HG22 H162 ' A' ' 201' ' ' CHO . 37.0 p -91.27 -177.26 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.946 0.403 . . . . 0.36 111.014 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.518 ' SD ' H122 ' A' ' 200' ' ' CHO . 46.3 mtp -83.55 -5.13 59.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.223 -0.444 . . . . 1.05 109.874 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.538 ' HA2' H161 ' A' ' 200' ' ' CHO . . . -93.07 -18.55 39.36 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.281 -0.728 . . . . 0.48 111.281 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.46 19.2 8.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.152 -0.547 . . . . 0.48 113.239 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.619 ' HD2' ' C27' ' A' ' 201' ' ' CHO . 14.7 mtp85 -85.2 123.54 30.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.062 0.431 . . . . 0.85 110.169 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.09 122.3 44.38 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.884 -0.784 . . . . 1.76 108.884 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.806 ' HZ ' H181 ' A' ' 201' ' ' CHO . 35.4 p90 -153.4 175.88 12.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.076 0.465 . . . . 1.17 111.664 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.88 137.6 46.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.076 -0.712 . . . . 2.55 109.076 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.59 161.41 41.75 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.814 0.34 . . . . 0.24 111.116 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.22 132.94 49.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.03 -0.532 . . . . 0.33 109.645 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.49 142.31 32.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.415 -0.357 . . . . 0.19 110.052 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.558 ' HA ' HG23 ' A' ' 65' ' ' ILE . 7.2 pttt -135.91 -176.41 4.3 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.451 -0.574 . . . . 1.14 109.451 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.2 mtt -125.16 150.38 46.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.651 0.263 . . . . 0.41 110.765 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.1 78.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.895 0.379 . . . . 2.67 111.131 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.82 50.6 10.77 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.549 -0.834 . . . . 0.46 113.124 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.9 15.44 81.19 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.888 -0.673 . . . . 0.36 112.82 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -127.06 124.32 39.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.952 -0.758 . . . . 1.76 108.952 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.0 mt -78.42 121.48 31.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.528 0.204 . . . . 0.22 110.982 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' A' ' 84' ' ' LYS . 7.4 p -118.28 126.54 75.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.389 0.614 . . . . 0.25 110.895 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.904 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -101.46 137.59 39.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.747 -0.661 . . . . 0.25 109.835 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -97.06 122.09 39.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.095 0.474 . . . . 1.19 111.265 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.483 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 73.4 m-85 -145.63 151.92 47.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.166 -0.925 . . . . 1.27 110.363 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -72.87 113.27 3.72 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.175 1.917 . . . . 0.36 111.702 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.46 ' O ' ' HA ' ' A' ' 114' ' ' SER . 0.9 OUTLIER 66.03 16.53 10.5 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.778 -0.646 . . . . 1.5 110.855 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.775 ' CZ ' H213 ' A' ' 201' ' ' CHO . 2.2 t80 -136.94 128.52 28.63 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.724 -0.843 . . . . 1.31 108.724 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.604 ' O ' ' HA ' ' A' ' 112' ' ' SER . 24.5 t60 -126.93 116.59 21.04 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.36 -0.382 . . . . 1.09 110.11 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.54 ' CD2' ' H21' ' A' ' 201' ' ' CHO . 12.2 t60 -119.58 120.36 36.48 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.989 0.181 . . . . 0.67 110.759 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.7 p -129.9 135.6 48.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.542 -0.299 . . . . 0.31 111.125 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.86 127.85 54.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.963 -0.562 . . . . 0.26 110.252 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.89 170.33 18.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.044 0.45 . . . . 1.38 110.858 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 34.6 mm -110.35 115.51 49.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.682 -0.69 . . . . 0.37 109.181 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.3 m -133.31 104.08 6.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.098 0.475 . . . . 1.37 110.452 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.65 28.3 27.16 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.533 -0.627 . . . . 0.96 111.533 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.84 21.59 79.65 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.161 -0.776 . . . . 0.5 111.161 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -133.96 152.4 51.84 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.95 0.405 . . . . 1.22 110.714 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -92.19 116.23 28.77 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.614 -0.884 . . . . 0.82 108.614 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 4.5 p -121.73 118.61 56.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 121.16 0.505 . . . . 0.33 110.266 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -103.9 141.01 36.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.616 -0.72 . . . . 1.69 110.545 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.505 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.1 mp -122.24 120.79 62.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.651 -0.704 . . . . 0.37 109.816 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.604 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.5 m -119.74 109.36 15.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.37 110.279 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -97.07 136.07 38.15 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.002 -0.544 . . . . 0.27 110.639 179.71 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 67.0 m -147.02 110.87 5.0 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 123.335 0.397 . . . . 1.43 110.901 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.5 m 55.32 33.85 21.61 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.552 -0.749 . . . . 0.63 112.617 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.76 -26.46 21.02 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.42 -0.895 . . . . 0.46 113.658 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 113' ' ' THR . 87.7 t -83.38 126.5 40.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.353 0.576 . . . . 0.53 111.075 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.447 HG23 HG23 ' A' ' 111' ' ' ILE . 6.7 p -105.97 109.96 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.752 0.787 . . . . 0.97 110.883 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.413 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 27.7 t80 -95.33 116.45 28.79 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.484 -0.78 . . . . 1.22 110.384 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.505 ' HG2' HG13 ' A' ' 111' ' ' ILE . 68.0 mttt -106.55 143.71 34.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.151 -0.477 . . . . 1.17 110.568 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -143.84 122.71 12.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.807 -0.633 . . . . 2.48 109.888 178.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 33.7 m -106.12 123.51 48.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.734 -0.667 . . . . 0.43 110.042 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.7 m -123.72 132.12 53.75 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.873 -0.417 . . . . 0.38 109.873 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 12.6 pttm -77.31 154.0 33.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 1.45 110.27 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 127.87 42.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.954 -0.567 . . . . 1.45 110.112 -179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -141.57 166.4 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.015 -0.539 . . . . 0.35 110.064 178.729 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 117.831 -1.081 . . . . 1.27 108.937 178.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.972 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.972 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.574 0.226 . . . . 1.11 111.45 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -102.3 -24.31 13.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.717 0.266 . . . . 1.24 111.717 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' ' 42' ' ' GLN . 1.3 m -55.74 136.86 50.64 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.925 0.393 . . . . 0.26 111.621 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.55 ' HA3' ' HE3' ' A' ' 125' ' ' LYS . . . 134.73 172.37 12.77 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.454 -0.879 . . . . 0.21 112.293 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.2 OUTLIER -100.85 145.72 28.22 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.751 -0.833 . . . . 1.54 108.751 178.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 93.5 m-85 -127.12 141.63 51.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.48 -0.327 . . . . 1.29 110.808 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -126.9 159.19 34.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.827 -0.624 . . . . 1.41 110.086 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.24 128.29 33.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 123.773 0.671 . . . . 1.86 111.029 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 122' ' ' THR . 12.0 tp10 -127.07 -52.62 1.41 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.747 -0.66 . . . . 1.46 110.051 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -152.49 163.12 40.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.995 -0.548 . . . . 1.01 110.256 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 1.1 p30 -156.61 152.71 27.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.757 -0.46 . . . . 1.72 109.757 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -141.31 140.01 33.73 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.126 -0.488 . . . . 1.44 109.895 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 60.9 31.65 20.0 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.045 0.841 . . . . 0.84 111.209 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 49.2 t80 -58.5 -62.61 1.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.611 0.226 . . . . 1.39 111.611 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.53 ' HA ' HG22 ' A' ' 18' ' ' VAL . 6.1 m-20 -60.95 -42.94 99.22 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.583 -0.28 . . . . 1.3 110.86 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -38.7 76.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.87 0.367 . . . . 1.46 110.604 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' HA ' HG11 ' A' ' 117' ' ' VAL . 74.0 t80 -69.23 -55.8 9.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.048 -0.524 . . . . 1.24 111.289 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.0 m -60.06 -36.25 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 0.26 111.791 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -72.35 -30.27 64.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.964 0.411 . . . . 1.18 110.303 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.71 -45.16 38.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 0.88 111.422 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.4 pt -74.04 -11.94 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.39 111.531 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.7 29.7 34.69 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.714 -0.755 . . . . 0.39 112.998 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.704 HD11 H152 ' A' ' 200' ' ' CHO . 19.8 tp -68.1 133.26 91.73 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.169 -0.678 . . . . 0.31 109.169 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.653 ' HD2' HD12 ' A' ' 23' ' ' LEU . 29.7 Cg_endo -65.43 137.55 51.42 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.157 1.904 . . . . 0.37 111.447 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.66 -35.65 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.195 0.522 . . . . 0.39 111.164 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 30' ' ' MET . 33.6 t70 -56.89 -37.9 72.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.024 -0.989 . . . . 2.03 111.085 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 40.9 mmtt -90.63 -32.95 16.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.366 -0.379 . . . . 0.94 111.179 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.698 HG12 HD23 ' A' ' 23' ' ' LEU . 87.1 mt -57.52 -60.46 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.816 -0.629 . . . . 0.37 111.246 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.71 -22.66 66.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.871 -0.604 . . . . 1.73 110.652 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.469 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 8.0 tpt -71.47 -37.14 71.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.355 -0.839 . . . . 0.97 110.032 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.623 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -111.1 25.39 14.17 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.565 -0.826 . . . . 0.51 114.057 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -105.29 135.81 45.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.621 0.71 . . . . 2.27 110.957 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.59 23.94 9.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.293 -0.867 . . . . 1.78 110.571 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.2 m -91.54 149.36 21.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.498 -0.774 . . . . 1.16 110.341 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 76.8 4.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.222 0.534 . . . . 2.49 111.531 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.08 117.32 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.836 -0.62 . . . . 0.66 109.648 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 9.5 t -97.69 122.85 49.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 116.07 -0.514 . . . . 0.37 109.772 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' A' ' 50' ' ' THR . 40.7 m -109.35 106.1 15.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.173 -0.467 . . . . 0.33 110.375 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -95.94 118.35 32.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.559 -0.291 . . . . 1.39 110.44 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.01 125.29 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 123.811 0.694 . . . . 0.22 111.264 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.452 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 96.6 t -110.2 126.61 67.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.903 -0.777 . . . . 0.95 108.903 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HB3' ' OG1' ' A' ' 3' ' ' THR . 13.5 pt20 -81.97 120.54 25.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.225 0.536 . . . . 2.06 111.967 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.437 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 1.3 t-20 -142.19 79.49 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.806 -0.813 . . . . 1.73 108.806 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.1 -101.46 0.43 Allowed Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 114.928 -1.033 . . . . 0.4 112.113 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.47 -17.86 13.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 120.878 -0.329 . . . . 0.43 111.473 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.553 ' HB3' ' OG1' ' A' ' 64' ' ' THR . 0.2 OUTLIER -87.2 110.85 20.44 Favored 'General case' 0 N--CA 1.421 -1.886 0 CA-C-O 121.601 0.715 . . . . 1.36 111.824 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -101.53 133.12 46.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.113 -0.948 . . . . 1.0 109.477 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.452 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.6 OUTLIER -97.84 119.53 36.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.96 0.41 . . . . 0.56 111.071 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.51 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -99.14 104.52 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.953 -0.567 . . . . 0.42 109.806 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.4 m -103.05 118.06 35.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.922 -0.581 . . . . 0.35 110.996 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.408 ' NE2' HG23 ' A' ' 38' ' ' THR . 4.4 mp0 -103.94 119.48 39.01 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.782 0.325 . . . . 1.62 110.399 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.32 128.43 50.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.081 0.467 . . . . 0.37 110.108 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.551 ' CZ ' H211 ' A' ' 200' ' ' CHO . 2.4 t80 -109.91 124.05 34.59 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.653 -0.703 . . . . 1.23 110.417 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.469 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.3 Cg_endo -60.12 115.07 2.39 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.657 2.238 . . . . 0.46 111.909 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.62 27.34 67.99 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.763 -0.653 . . . . 0.46 112.793 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.24 -169.13 13.38 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.969 -1.11 . . . . 0.41 113.571 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.57 147.61 51.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.197 0.522 . . . . 3.34 112.013 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 t -105.81 159.48 15.97 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.251 -0.648 . . . . 0.39 109.251 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.8 m -146.24 120.13 9.32 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.72 0.295 . . . . 0.49 110.239 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 m -121.68 124.52 44.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.616 -0.265 . . . . 0.31 110.803 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.43 133.99 54.61 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.127 0.489 . . . . 1.72 110.946 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.6 p -111.88 127.29 55.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.568 -0.742 . . . . 1.04 110.18 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.5 ' CD1' ' H5 ' ' A' ' 201' ' ' CHO . 45.7 p90 -136.16 151.97 50.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 0.88 110.847 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 97.9 m -120.97 133.03 55.26 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.038 -0.528 . . . . 0.25 109.995 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.7 mm -57.23 127.27 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.829 0.347 . . . . 0.24 111.049 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t70 70.76 24.24 4.3 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.912 0.885 . . . . 1.1 109.629 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 17.9 tptm -136.93 141.32 42.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.976 -1.011 . . . . 1.59 110.82 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' O ' ' HE2' ' A' ' 67' ' ' LYS . 16.6 pt-20 -69.72 133.88 48.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.368 -0.605 . . . . 2.55 109.368 177.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -127.72 159.63 34.18 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.109 0.48 . . . . 0.31 111.863 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -102.65 124.55 48.4 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.544 -0.91 . . . . 1.95 108.544 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.648 ' SD ' H191 ' A' ' 201' ' ' CHO . 6.1 mtt -129.34 162.18 28.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.763 0.792 . . . . 0.26 112.157 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.683 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -148.3 135.17 20.03 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.128 -1.434 . . . . 1.47 107.128 178.181 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.901 HG22 H162 ' A' ' 201' ' ' CHO . 69.7 p -87.68 176.27 7.5 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.546 -0.462 . . . . 0.36 110.724 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.592 ' HB2' ' H17' ' A' ' 200' ' ' CHO . 20.2 mtp -79.53 -5.62 55.25 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.236 -0.653 . . . . 1.05 109.236 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.22 -11.9 58.04 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.657 -0.701 . . . . 0.48 111.659 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.95 29.79 6.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.149 -0.548 . . . . 0.48 113.301 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.683 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 22.0 mtp85 -97.52 119.3 35.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.986 0.393 . . . . 0.85 110.872 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -98.09 122.5 41.3 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.802 -0.814 . . . . 1.76 108.802 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.815 ' HZ ' H181 ' A' ' 201' ' ' CHO . 51.2 p90 -156.36 169.6 24.22 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.633 0.73 . . . . 1.17 112.704 -178.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.06 137.39 52.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.924 -1.035 . . . . 2.55 108.966 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.63 158.63 44.34 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.934 0.397 . . . . 0.24 111.173 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -104.2 135.7 45.19 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.939 -0.573 . . . . 0.33 109.851 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 t -116.09 145.17 22.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.181 -0.463 . . . . 0.19 110.739 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.458 ' CG ' HG13 ' A' ' 91' ' ' VAL . 15.0 pttt -133.94 175.78 9.16 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.559 -0.534 . . . . 1.14 109.559 179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.0 mtt -128.94 125.66 37.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.846 0.355 . . . . 0.41 111.124 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 6.6 pt-20 -118.14 89.22 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.057 -0.52 . . . . 2.67 111.507 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.64 50.24 44.26 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.061 -0.59 . . . . 0.46 113.074 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.07 17.66 79.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.857 -0.687 . . . . 0.36 112.746 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -124.03 116.87 23.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.534 -0.543 . . . . 1.76 109.534 179.612 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.1 mt -77.71 110.95 13.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.0 -0.545 . . . . 0.22 110.621 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.458 HG13 ' CG ' ' A' ' 84' ' ' LYS . 3.4 p -113.97 131.99 64.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.151 0.5 . . . . 0.25 110.544 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -113.75 143.66 44.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.856 -0.611 . . . . 0.25 110.535 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -96.79 126.84 42.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.243 -0.435 . . . . 1.19 111.403 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.507 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 82.4 m-85 -143.68 152.04 55.13 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 1.27 109.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -68.93 114.11 3.46 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 121.86 1.706 . . . . 0.36 112.306 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 114' ' ' SER . 62.3 t30 62.43 22.91 13.56 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.934 0.873 . . . . 1.5 110.549 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.598 ' CZ ' H213 ' A' ' 201' ' ' CHO . 3.7 t80 -142.01 121.23 13.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.344 -0.844 . . . . 1.31 109.769 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -114.06 110.92 20.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.421 -0.585 . . . . 1.09 109.421 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.482 ' ND1' H122 ' A' ' 201' ' ' CHO . 3.4 t60 -115.15 122.88 47.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.228 0.33 . . . . 0.67 111.37 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.7 p -131.89 130.64 41.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.874 -0.603 . . . . 0.31 110.758 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.0 130.26 56.55 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.693 -0.484 . . . . 0.26 109.693 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -155.11 171.27 20.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.012 0.434 . . . . 1.38 111.037 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.7 mm -112.54 128.3 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.598 -0.728 . . . . 0.37 110.074 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.8 m -142.68 116.05 9.03 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.866 -0.42 . . . . 1.37 109.866 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.15 29.31 66.81 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.756 -0.735 . . . . 0.96 111.596 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.93 23.2 78.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.003 -0.618 . . . . 0.5 111.801 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -132.16 148.67 52.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 1.22 110.891 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.9 tm? -90.91 124.8 35.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.939 -0.763 . . . . 0.82 108.939 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.7 p -130.87 114.1 26.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 121.428 0.632 . . . . 0.33 110.431 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -104.24 120.84 42.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.574 -0.739 . . . . 1.69 109.801 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.37 130.24 48.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.113 -0.494 . . . . 0.37 109.765 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.3 m -125.33 104.5 8.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.087 -0.506 . . . . 0.37 110.924 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -95.39 134.59 38.02 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.676 -0.49 . . . . 0.27 109.676 178.492 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.512 ' O ' HG12 ' A' ' 117' ' ' VAL . 6.9 t -153.07 119.54 5.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.921 0.391 . . . . 1.43 110.478 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 m 59.9 25.29 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.705 -0.679 . . . . 0.63 111.983 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.12 -27.24 20.22 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.473 -0.87 . . . . 0.46 113.279 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 114' ' ' SER . 1.7 p -80.31 134.87 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.902 0.382 . . . . 0.53 110.244 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.98 115.03 48.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.317 0.579 . . . . 0.97 111.425 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.411 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 39.4 t80 -98.94 132.55 44.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.871 -0.604 . . . . 1.22 110.149 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -130.37 139.47 50.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.355 -0.384 . . . . 1.17 110.009 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.0 ptt85 -144.48 123.67 12.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.296 0.569 . . . . 2.48 110.843 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 2.8 m -93.26 125.98 38.13 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.12 -0.945 . . . . 0.43 109.899 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m -120.33 131.1 54.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.757 -0.46 . . . . 0.38 109.757 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.4 pttm -80.03 148.24 31.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.317 -0.401 . . . . 1.45 110.37 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.55 ' HE3' ' HA3' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -94.66 123.1 37.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.212 0.53 . . . . 1.45 110.843 -179.134 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.9 167.03 14.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.717 -0.674 . . . . 0.35 109.623 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.63 -0.7 . . . . 1.27 110.165 178.642 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 1.158 ' C7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 1.158 H262 ' C7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.713 0.292 . . . . 1.11 111.456 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -93.96 -27.15 16.51 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.963 -0.562 . . . . 1.24 110.851 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.473 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.7 m -58.72 140.08 55.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.26 111.329 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.495 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 132.97 172.53 13.03 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 119.951 -1.119 . . . . 0.21 112.258 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -101.99 143.67 31.56 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.156 -0.683 . . . . 1.54 109.156 178.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.639 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 74.2 m-85 -129.18 139.88 51.73 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.347 -0.388 . . . . 1.29 110.497 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -124.83 151.91 44.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.263 -0.643 . . . . 1.41 109.263 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.419 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 28.4 t80 -48.55 118.96 2.76 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.742 0.651 . . . . 1.86 112.034 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.524 ' OE1' ' HB3' ' A' ' 124' ' ' LYS . 0.8 OUTLIER -110.04 -47.76 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.439 -0.8 . . . . 1.46 109.512 179.204 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m -161.56 174.35 13.49 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.136 -0.484 . . . . 1.01 110.237 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.551 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -156.95 163.71 38.83 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.659 -0.497 . . . . 1.72 109.659 179.835 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 23.6 tt0 -151.12 139.11 20.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.435 -0.348 . . . . 1.44 110.486 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 63.01 33.63 14.62 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.19 0.931 . . . . 0.84 111.954 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.551 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 89.2 t80 -61.57 -59.54 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.667 0.27 . . . . 1.39 111.351 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.15 -44.16 74.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.604 . . . . 1.3 111.182 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.17 -44.67 96.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.962 -0.563 . . . . 1.46 110.571 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 73.1 t80 -62.71 -55.73 24.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.723 -0.671 . . . . 1.24 111.391 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.47 -35.89 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.26 111.525 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -74.55 -30.54 61.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 1.18 110.873 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -73.4 -45.44 54.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.381 -0.372 . . . . 0.88 111.036 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 17' ' ' PHE . 35.4 pt -74.53 -12.78 15.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.963 0.411 . . . . 0.39 110.901 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.3 36.02 31.99 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.964 -0.636 . . . . 0.39 112.742 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.632 HD23 HG12 ' A' ' 28' ' ' ILE . 20.6 tp -69.14 132.97 89.84 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.877 -0.416 . . . . 0.31 109.877 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HD2' HD12 ' A' ' 23' ' ' LEU . 30.1 Cg_endo -65.78 141.67 66.63 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.164 1.909 . . . . 0.37 111.492 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.97 -37.66 53.86 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.526 0.516 . . . . 0.39 111.68 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -57.25 -37.06 71.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.651 -0.704 . . . . 2.03 111.595 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -88.36 -35.33 17.22 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.032 -0.267 . . . . 0.94 110.377 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.632 HG12 HD23 ' A' ' 23' ' ' LEU . 60.2 mt -57.41 -58.24 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.852 -0.613 . . . . 0.37 110.603 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.51 -27.25 69.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 1.73 111.405 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.0 tpt -75.01 -36.78 61.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.076 -0.511 . . . . 0.97 110.294 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.554 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -114.23 40.15 2.58 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.767 -0.73 . . . . 0.51 113.201 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -101.93 118.01 36.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.346 0.573 . . . . 2.27 110.921 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.13 22.5 11.76 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.592 -0.731 . . . . 1.78 112.078 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.1 m -76.56 148.29 37.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.295 -0.411 . . . . 1.16 110.13 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' HA ' ' HB2' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -81.61 81.58 7.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.186 0.517 . . . . 2.49 111.488 -179.159 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -82.45 114.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.939 -0.573 . . . . 0.66 109.662 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 6.6 t -79.81 135.09 26.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.073 -0.512 . . . . 0.37 110.29 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.504 HG23 HE21 ' A' ' 51' ' ' GLN . 27.9 m -116.8 107.24 14.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.083 -0.508 . . . . 0.33 109.914 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 2.3 mm-40 -102.16 121.65 42.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.746 0.307 . . . . 1.39 110.782 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 48' ' ' THR . 58.0 t -116.46 134.72 59.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.651 -0.704 . . . . 0.22 111.316 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.565 HG12 ' OG1' ' A' ' 48' ' ' THR . 4.4 p -119.74 140.26 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.721 -0.844 . . . . 0.95 108.721 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.473 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 46.1 tp60 -85.35 121.37 27.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.697 0.284 . . . . 2.06 111.198 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -142.17 72.91 1.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 1.73 110.203 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.5 -104.54 1.08 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.162 -0.775 . . . . 0.4 111.162 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.61 7.16 13.54 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.381 0.61 . . . . 0.43 109.358 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 34.4 t70 -100.89 108.53 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.114 -0.948 . . . . 1.36 108.996 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -106.86 132.98 52.21 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.097 -0.705 . . . . 1.0 109.097 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.565 ' OG1' HG12 ' A' ' 41' ' ' VAL . 70.1 p -99.71 130.72 45.95 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.979 -0.288 . . . . 0.56 110.922 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.641 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -111.11 100.51 9.16 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.66 -0.867 . . . . 0.42 108.66 178.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 38' ' ' THR . 5.2 m -101.03 111.34 23.52 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.08 -0.509 . . . . 0.35 110.671 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.504 HE21 HG23 ' A' ' 38' ' ' THR . 5.0 mp0 -100.53 117.37 34.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.477 -0.329 . . . . 1.62 110.197 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.434 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 93.4 m-70 -105.54 132.27 51.91 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.865 -0.42 . . . . 0.37 109.865 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.417 ' CZ ' H211 ' A' ' 200' ' ' CHO . 5.9 t80 -101.24 133.84 20.69 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.942 -0.572 . . . . 1.23 109.806 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.06 112.79 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.08 1.853 . . . . 0.46 111.752 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.76 22.11 67.93 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.961 -0.638 . . . . 0.46 112.489 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.31 -167.53 10.99 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.358 -0.925 . . . . 0.41 113.517 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.08 142.83 50.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.35 0.595 . . . . 3.34 112.167 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -96.9 159.71 14.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.825 -0.625 . . . . 0.39 110.109 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -139.47 108.8 6.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.36 -0.382 . . . . 0.49 110.005 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.6 m -113.44 129.93 56.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.052 0.39 . . . . 0.31 112.052 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -132.79 142.64 49.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.716 -0.476 . . . . 1.72 109.716 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.2 p -124.31 122.82 38.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.105 -0.702 . . . . 1.04 109.105 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.534 ' CE2' ' H5 ' ' A' ' 201' ' ' CHO . 48.5 p90 -130.58 139.34 50.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.397 0.618 . . . . 0.88 112.509 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 46' ' ' ASP . 39.3 m -103.36 127.43 50.72 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.027 -0.988 . . . . 0.25 108.715 178.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.2 mm -55.39 127.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.058 0.224 . . . . 0.24 110.579 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t0 75.81 20.08 1.85 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.163 0.914 . . . . 1.1 110.433 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 25.2 tptt -135.12 146.15 48.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.502 -0.772 . . . . 1.59 110.279 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 36.4 mp0 -74.72 124.01 25.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.035 -0.529 . . . . 2.55 109.728 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -116.81 156.25 27.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.176 0.513 . . . . 0.31 112.178 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.16 122.85 35.96 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.304 -0.999 . . . . 1.95 108.304 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.594 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 8.9 mtt -127.41 166.08 18.58 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.432 0.634 . . . . 0.26 112.176 -178.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.672 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 22.6 tt0 -148.18 146.79 28.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.456 -1.247 . . . . 1.47 108.93 178.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.873 HG22 H162 ' A' ' 201' ' ' CHO . 26.1 p -100.45 169.21 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.489 -0.56 . . . . 0.36 109.489 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.7 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 34.2 mtt -73.95 -0.57 16.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.222 0.534 . . . . 1.05 110.129 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.48 -8.21 61.26 Favored Glycine 0 N--CA 1.439 -1.144 0 N-CA-C 110.831 -0.908 . . . . 0.48 110.831 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.29 34.37 6.75 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 121.02 -0.609 . . . . 0.48 112.749 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.672 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 18.7 mtp180 -100.67 126.47 47.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.948 -0.148 . . . . 0.85 111.169 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -103.81 121.52 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.977 -0.749 . . . . 1.76 108.977 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.797 ' HZ ' H181 ' A' ' 201' ' ' CHO . 45.6 p90 -155.61 176.39 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.027 0.441 . . . . 1.17 111.65 -178.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.26 145.55 51.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.761 -0.829 . . . . 2.55 108.761 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -155.69 159.6 39.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.24 111.51 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -101.08 130.04 47.05 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.126 -0.488 . . . . 0.33 110.297 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.0 t -114.26 139.66 38.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.219 -0.446 . . . . 0.19 110.209 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.447 ' HG3' HG13 ' A' ' 91' ' ' VAL . 26.6 pttt -130.2 -179.98 5.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.659 -0.497 . . . . 1.14 109.659 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mtt -127.51 135.2 50.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.696 0.284 . . . . 0.41 110.33 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -120.56 91.0 3.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.135 -0.484 . . . . 2.67 111.402 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.95 50.03 63.63 Favored Glycine 0 CA--C 1.516 0.147 0 C-N-CA 121.027 -0.606 . . . . 0.46 113.77 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.61 15.09 81.36 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.466 -0.873 . . . . 0.36 113.25 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -127.5 125.73 40.98 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.813 -0.81 . . . . 1.76 108.813 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 100' ' ' THR . 3.3 mt -78.35 122.71 33.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.819 0.342 . . . . 0.22 111.116 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.447 HG13 ' HG3' ' A' ' 84' ' ' LYS . 7.3 p -122.78 130.35 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 121.422 0.63 . . . . 0.25 110.588 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.739 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -109.14 138.41 45.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.627 -0.715 . . . . 0.25 110.508 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.43 125.99 39.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.236 0.541 . . . . 1.19 111.712 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 66.6 m-85 -148.8 156.87 41.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.289 -0.869 . . . . 1.27 110.975 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.86 114.55 4.0 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.281 1.987 . . . . 0.36 111.775 178.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.557 ' O ' ' HA ' ' A' ' 114' ' ' SER . 55.0 m-80 64.16 16.05 9.76 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.187 0.595 . . . . 1.5 111.478 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.637 ' CZ ' H213 ' A' ' 201' ' ' CHO . 3.7 t80 -133.37 130.85 39.35 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.623 -0.51 . . . . 1.31 109.623 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -126.98 105.87 8.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.826 -0.624 . . . . 1.09 109.507 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.708 ' ND1' H122 ' A' ' 201' ' ' CHO . 1.6 t60 -110.71 118.34 35.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.535 -0.302 . . . . 0.67 111.766 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 33.0 p -128.45 130.69 47.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.003 -0.544 . . . . 0.31 110.477 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.41 130.38 56.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.046 -0.524 . . . . 0.26 109.964 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -151.96 168.09 26.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.178 0.513 . . . . 1.38 110.981 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.7 mm -109.81 123.86 66.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.241 -0.891 . . . . 0.37 110.165 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 m -130.79 103.42 6.57 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.099 0.476 . . . . 1.37 110.472 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.93 32.32 63.7 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.59 -0.732 . . . . 0.96 112.716 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.25 21.37 73.38 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.709 -0.758 . . . . 0.5 111.987 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.5 140.06 51.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.758 0.313 . . . . 1.22 110.428 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.2 tm? -85.9 118.06 25.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.852 -0.795 . . . . 0.82 108.852 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.14 105.94 16.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-O 121.485 0.659 . . . . 0.33 109.806 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -96.12 135.05 38.44 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.532 -0.758 . . . . 1.69 110.309 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.536 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.1 mp -113.52 128.47 70.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.136 -0.69 . . . . 0.37 109.136 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.9 m -123.59 103.67 8.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.874 -0.603 . . . . 0.37 110.099 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.701 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -92.2 123.68 35.72 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.214 -0.448 . . . . 0.27 110.094 179.208 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 62.8 m -133.16 106.58 7.67 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 121.118 0.485 . . . . 1.43 110.406 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.3 m 58.24 35.4 24.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.955 -1.02 . . . . 0.63 111.797 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.53 -36.75 4.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.64 -0.791 . . . . 0.46 113.528 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.67 119.68 19.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.863 0.363 . . . . 0.53 110.958 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.701 HG22 HG23 ' A' ' 113' ' ' THR . 57.5 t -95.53 110.12 23.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.97 111.105 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -97.88 128.16 44.3 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.958 -0.565 . . . . 1.22 109.714 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.536 ' HG2' HG13 ' A' ' 111' ' ' ILE . 52.2 mttt -119.23 141.69 48.69 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.706 0.289 . . . . 1.17 110.618 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -137.13 119.93 16.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.411 0.624 . . . . 2.48 109.888 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.81 132.84 43.06 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.44 -0.8 . . . . 0.43 109.88 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.6 m -134.65 131.81 38.21 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.941 0.401 . . . . 0.38 110.042 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.524 ' HB3' ' OE1' ' A' ' 9' ' ' GLU . 65.4 pttt -79.77 149.7 31.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.263 -0.426 . . . . 1.45 111.061 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.639 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -90.72 117.7 29.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.152 0.501 . . . . 1.45 110.245 179.314 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.541 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -133.17 169.75 21.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.449 -0.796 . . . . 0.35 109.774 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.405 0 CA-C-O 118.38 -0.819 . . . . 1.27 109.244 177.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 1.043 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 1.043 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.494 0.188 . . . . 1.11 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -91.1 -24.04 20.12 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.12 -0.232 . . . . 1.24 111.132 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -64.02 144.67 56.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.26 111.711 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.03 169.0 12.42 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.585 -0.817 . . . . 0.21 111.948 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 142.36 29.39 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.833 -1.173 . . . . 1.54 107.833 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 82.7 m-85 -128.22 138.89 52.65 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.801 0.334 . . . . 1.29 110.645 -178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -119.71 152.02 37.83 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.155 -0.475 . . . . 1.41 109.953 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.49 121.53 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.804 0.69 . . . . 1.86 111.106 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 122' ' ' THR . 2.0 tt0 -117.65 -43.75 2.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 1.46 110.994 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -154.31 172.77 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.311 . . . . 1.01 111.469 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.32 153.22 27.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.751 -0.659 . . . . 1.72 110.292 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 30.1 tt0 -147.33 137.54 23.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.474 -0.784 . . . . 1.44 110.259 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 60.81 34.77 19.64 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.294 -0.866 . . . . 0.84 111.24 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -64.31 -58.46 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 1.39 111.541 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.438 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.1 m-20 -61.31 -39.03 88.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.3 111.488 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 4.2 m-20 -63.44 -40.33 96.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.193 0.521 . . . . 1.46 110.08 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 21' ' ' ILE . 58.8 t80 -66.59 -55.64 14.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.209 -0.905 . . . . 1.24 111.444 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 15' ' ' ASP . 30.7 m -59.22 -38.55 75.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.26 112.046 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -72.93 -28.23 62.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 1.18 111.084 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ASP . 37.2 tptt -76.54 -44.73 33.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.217 -0.447 . . . . 0.88 111.709 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.3 pt -77.03 -14.21 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.283 -0.417 . . . . 0.39 112.063 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.37 36.12 15.42 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.581 -0.819 . . . . 0.39 112.819 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.737 HD23 HG12 ' A' ' 28' ' ' ILE . 16.0 tp -70.94 133.53 86.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.16 -0.682 . . . . 0.31 109.16 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' O ' HG13 ' A' ' 28' ' ' ILE . 28.6 Cg_endo -65.9 140.2 59.85 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.148 1.899 . . . . 0.37 111.324 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.79 -34.92 60.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.39 110.999 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.72 -43.98 69.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 2.03 111.009 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.674 ' HB3' H162 ' A' ' 200' ' ' CHO . 73.6 mmtt -88.62 -29.97 19.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.104 -0.498 . . . . 0.94 110.776 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.737 HG12 HD23 ' A' ' 23' ' ' LEU . 67.9 mt -58.55 -58.28 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 0.37 110.403 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 16.4 mm-40 -67.65 -24.58 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 1.73 111.369 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.425 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 9.8 tpt -81.42 -22.79 37.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.889 -0.596 . . . . 0.97 111.471 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.561 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -114.93 19.71 15.29 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 119.94 -1.124 . . . . 0.51 113.471 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.537 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.3 ptp180 -107.29 131.46 54.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.289 0.545 . . . . 2.27 110.872 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.23 9.4 6.31 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.683 -0.689 . . . . 1.78 111.774 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.4 m -82.36 158.27 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.287 -0.415 . . . . 1.16 110.29 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.2 pttt -93.85 98.21 10.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.517 0.675 . . . . 2.49 112.01 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.17 123.2 55.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.513 -0.767 . . . . 0.66 109.472 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -94.68 130.38 43.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.115 -0.493 . . . . 0.37 110.347 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 50' ' ' THR . 40.1 m -110.78 105.88 14.88 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.874 -0.417 . . . . 0.33 109.874 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -98.5 111.12 23.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.888 0.375 . . . . 1.39 110.309 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 48' ' ' THR . 60.6 t -104.26 127.35 58.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 0.22 111.675 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.66 130.16 70.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.859 -0.793 . . . . 0.95 108.859 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.434 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 64.8 tt0 -90.01 121.81 32.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.153 0.501 . . . . 2.06 111.897 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -134.65 74.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.508 -0.769 . . . . 1.73 109.009 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.77 -101.88 1.15 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.657 -0.977 . . . . 0.4 110.657 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.51 10.9 12.77 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.942 -0.762 . . . . 0.43 108.942 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -106.44 111.7 24.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.875 -1.057 . . . . 1.36 109.715 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -111.2 135.67 51.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.052 0.453 . . . . 1.0 110.403 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 1.2 p -102.32 122.94 45.23 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.151 -0.477 . . . . 0.56 111.03 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.575 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -99.31 103.12 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.06 -0.718 . . . . 0.42 109.06 179.106 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.535 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.4 m -105.62 109.77 21.86 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.019 -0.537 . . . . 0.35 111.114 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -101.17 118.55 37.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.315 -0.402 . . . . 1.62 110.541 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -101.63 124.51 47.4 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.996 -0.547 . . . . 0.37 110.655 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 6.7 t80 -102.23 133.44 20.6 Favored Pre-proline 0 N--CA 1.443 -0.796 0 CA-C-N 115.95 -0.568 . . . . 1.23 109.577 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.493 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 48.3 Cg_endo -69.92 113.67 3.48 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.874 1.716 . . . . 0.46 111.392 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.42 28.67 73.87 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 121.263 -0.494 . . . . 0.46 113.514 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.22 -166.04 12.18 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.536 -0.84 . . . . 0.41 112.795 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.588 ' NH2' H213 ' A' ' 200' ' ' CHO . 0.0 OUTLIER -72.41 148.07 45.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.01 0.434 . . . . 3.34 111.212 -179.664 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.5 t -97.81 155.93 16.82 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.372 -0.603 . . . . 0.39 109.372 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -132.99 108.14 8.71 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.721 -0.474 . . . . 0.49 109.721 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 m -122.61 120.47 33.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.274 -0.421 . . . . 0.31 111.478 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -125.03 131.91 53.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.326 -0.397 . . . . 1.72 110.17 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.3 p -107.45 123.42 48.38 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.35 -0.611 . . . . 1.04 109.35 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -134.76 144.44 47.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.571 0.7 . . . . 0.88 112.338 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 23.6 m -111.46 133.45 53.74 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.186 -0.915 . . . . 0.25 109.547 178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.89 129.48 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.655 0.264 . . . . 0.24 110.963 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 t70 73.4 19.79 3.35 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.207 1.003 . . . . 1.1 110.2 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HE3' ' HG3' ' A' ' 68' ' ' GLU . 34.8 tptt -136.64 144.34 43.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.7 -0.682 . . . . 1.59 110.626 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HG3' ' HE3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -69.84 146.32 51.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.171 -0.677 . . . . 2.55 109.171 177.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -137.64 149.4 46.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.905 0.383 . . . . 0.31 111.699 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.34 117.04 22.11 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.807 -1.183 . . . . 1.95 107.807 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.503 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 28.2 mtt -120.05 166.03 13.92 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.389 0.614 . . . . 0.26 112.196 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 3.1 tt0 -156.07 147.11 22.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.896 -1.047 . . . . 1.47 108.866 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.825 HG22 H162 ' A' ' 201' ' ' CHO . 14.1 p -102.02 168.02 9.66 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 120.958 0.409 . . . . 0.36 109.913 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.675 ' HB2' ' H14' ' A' ' 200' ' ' CHO . 43.4 mtt -68.66 -13.92 62.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.055 -0.521 . . . . 1.05 110.58 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.28 -12.1 71.04 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.798 -0.521 . . . . 0.48 111.798 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.91 52.3 1.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.146 -0.55 . . . . 0.48 112.853 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.579 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.5 mtp85 -114.06 120.69 41.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.204 -0.295 . . . . 0.85 110.204 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -93.25 121.65 34.84 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.539 -0.541 . . . . 1.76 109.539 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.822 ' HZ ' H181 ' A' ' 201' ' ' CHO . 42.3 p90 -161.9 177.22 10.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.114 0.483 . . . . 1.17 111.71 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -140.98 141.22 34.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.57 -0.741 . . . . 2.55 109.692 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -146.99 162.16 39.34 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.131 -0.486 . . . . 0.24 111.399 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -100.73 129.95 46.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 0.33 110.203 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.4 t -110.77 144.38 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.443 -0.344 . . . . 0.19 110.643 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -135.74 176.53 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.721 -0.474 . . . . 1.14 109.721 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 mtt -128.0 132.85 49.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.618 0.246 . . . . 0.41 111.123 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.14 81.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.314 -0.403 . . . . 2.67 110.685 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.93 55.13 14.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.165 -0.54 . . . . 0.46 113.134 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.43 22.33 77.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.899 -0.667 . . . . 0.36 112.555 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -130.84 111.97 12.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.465 -0.568 . . . . 1.76 109.465 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 mt -72.83 121.83 24.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.22 110.77 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.91 136.29 61.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.283 0.563 . . . . 0.25 110.38 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -116.44 133.06 56.46 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.661 -0.7 . . . . 0.25 110.363 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -91.7 122.61 34.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.436 0.636 . . . . 1.19 111.755 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.483 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 69.7 m-85 -140.32 156.67 69.7 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.097 -0.956 . . . . 1.27 109.961 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -67.15 111.7 2.32 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 121.773 1.649 . . . . 0.36 111.878 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.455 ' O ' ' HA ' ' A' ' 114' ' ' SER . 3.4 t-20 62.83 20.01 11.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.636 -0.711 . . . . 1.5 110.854 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.691 ' CZ ' H213 ' A' ' 201' ' ' CHO . 2.7 t80 -138.19 126.67 23.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 1.31 109.577 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.46 ' O ' ' HA ' ' A' ' 112' ' ' SER . 0.2 OUTLIER -124.2 110.37 14.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.662 -0.699 . . . . 1.09 110.122 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.738 ' ND1' H122 ' A' ' 201' ' ' CHO . 2.6 t60 -106.68 120.15 41.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.613 -0.267 . . . . 0.67 110.421 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.7 p -129.11 132.32 47.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.591 -0.277 . . . . 0.31 110.742 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HB2' ' HG2' ' A' ' 110' ' ' GLU . . . -122.42 128.2 50.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.412 -0.358 . . . . 0.26 110.96 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -146.37 172.27 13.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.055 0.455 . . . . 1.38 110.939 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.8 mm -111.47 110.74 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.294 -0.632 . . . . 0.37 109.294 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 72.7 m -119.05 105.05 11.04 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.716 -0.675 . . . . 1.37 110.408 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.06 30.71 58.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.951 -0.643 . . . . 0.96 112.288 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.39 15.55 79.76 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.58 -0.819 . . . . 0.5 112.446 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -125.8 144.95 50.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.588 0.194 . . . . 1.22 110.999 -179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.465 HD11 ' HB1' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -90.06 106.44 18.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.226 -0.657 . . . . 0.82 109.226 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -109.39 114.43 46.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.758 -0.655 . . . . 0.33 109.809 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HG2' ' HB2' ' A' ' 101' ' ' ALA . 50.6 mt-10 -102.57 128.81 49.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.814 -0.63 . . . . 1.69 110.38 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.564 HG13 ' HG2' ' A' ' 120' ' ' LYS . 3.8 mp -108.92 133.65 53.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.658 -0.701 . . . . 0.37 110.271 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 50.9 m -127.6 110.73 12.99 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.605 -0.517 . . . . 0.37 109.605 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.647 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -98.6 131.85 44.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.429 -0.35 . . . . 0.27 110.486 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 56.3 m -148.06 114.75 6.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.924 0.392 . . . . 1.43 110.309 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m 59.23 27.5 16.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.302 -0.863 . . . . 0.63 111.862 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 101.76 -20.37 46.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.46 113.12 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.0 t -82.21 120.75 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.908 0.354 . . . . 0.53 110.341 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.647 HG22 HG23 ' A' ' 113' ' ' THR . 51.8 t -98.11 107.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.042 -0.526 . . . . 0.97 110.856 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -92.79 123.19 35.89 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.691 -0.686 . . . . 1.22 110.123 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.564 ' HG2' HG13 ' A' ' 111' ' ' ILE . 23.1 mttt -121.38 141.16 51.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.863 0.363 . . . . 1.17 111.114 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.405 HH12 ' CD ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -147.52 117.7 7.32 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.206 0.526 . . . . 2.48 110.35 177.215 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 32.1 m -88.69 139.01 30.9 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.569 -0.742 . . . . 0.43 110.051 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.86 135.64 49.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.208 -0.451 . . . . 0.38 110.384 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 18.8 pttp -82.97 153.39 25.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.662 0.268 . . . . 1.45 110.968 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -94.85 127.6 40.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 1.45 110.975 -179.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.19 167.27 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.644 -0.707 . . . . 0.35 109.31 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 CA-C-O 118.379 -0.82 . . . . 1.27 109.935 178.38 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.788 H121 H212 ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.825 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 111.54 0.2 . . . . 1.11 111.54 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -89.57 -24.42 21.73 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.15 0.426 . . . . 1.24 112.15 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.3 m -67.81 138.82 56.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.113 0.412 . . . . 0.26 112.113 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.82 169.19 11.87 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.705 -0.76 . . . . 0.21 112.173 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.507 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -95.22 142.84 27.17 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.003 -0.74 . . . . 1.54 109.003 178.49 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.596 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 91.4 m-85 -125.75 139.47 53.49 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.426 -0.352 . . . . 1.29 111.061 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -122.81 147.88 46.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.318 -0.401 . . . . 1.41 110.55 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.457 ' HB3' ' HA ' ' A' ' 35' ' ' LYS . 19.9 t80 -48.69 124.52 8.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.307 -0.86 . . . . 1.86 111.421 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -124.41 -51.54 1.74 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.468 -0.787 . . . . 1.46 109.902 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.411 ' HB2' ' HB ' ' A' ' 122' ' ' THR . 20.2 m -145.53 152.98 40.6 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.736 -0.666 . . . . 1.01 109.805 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -146.77 156.99 43.56 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.45 -0.574 . . . . 1.72 109.45 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -154.21 141.56 19.63 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.272 0.471 . . . . 1.44 112.272 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.66 35.99 6.66 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.03 -0.986 . . . . 0.84 112.186 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' O ' HG22 ' A' ' 18' ' ' VAL . 34.5 t80 -69.81 -56.52 6.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.96 -0.564 . . . . 1.39 111.245 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.514 ' HA ' HG22 ' A' ' 18' ' ' VAL . 2.0 m-20 -60.45 -41.12 93.43 Favored 'General case' 0 CA--C 1.517 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.3 112.072 -177.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -38.69 92.14 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.201 0.524 . . . . 1.46 110.425 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.448 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 61.5 t80 -69.6 -52.16 28.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.358 -0.837 . . . . 1.24 110.897 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 15' ' ' ASP . 32.0 m -64.05 -39.42 85.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.0 -0.545 . . . . 0.26 111.597 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -67.27 -26.0 66.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.9 0.381 . . . . 1.18 110.578 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -80.77 -47.77 13.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.253 -0.43 . . . . 0.88 111.768 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.4 pt -73.93 -5.73 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 111.786 0.291 . . . . 0.39 111.786 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.73 35.18 46.68 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.844 -0.693 . . . . 0.39 113.168 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD12 ' HD2' ' A' ' 24' ' ' PRO . 26.5 tp -68.99 133.43 90.0 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.404 -0.591 . . . . 0.31 109.404 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.711 ' HD2' HD12 ' A' ' 23' ' ' LEU . 25.2 Cg_endo -64.17 142.14 78.99 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.35 2.033 . . . . 0.37 111.529 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.04 63.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.39 111.205 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -53.94 -42.57 68.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.195 -0.911 . . . . 2.03 111.317 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HD2' H222 ' A' ' 200' ' ' CHO . 51.8 mmtt -88.08 -33.13 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.903 -0.319 . . . . 0.94 110.825 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.543 HG12 HD23 ' A' ' 23' ' ' LEU . 46.0 mt -57.06 -55.23 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.072 0.463 . . . . 0.37 110.828 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 52.0 mm-40 -68.28 -28.76 67.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.69 -0.686 . . . . 1.73 111.839 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.454 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.7 tpt -76.87 -28.76 55.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.12 -0.491 . . . . 0.97 111.426 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.707 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -110.03 23.57 20.92 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.204 -0.998 . . . . 0.51 113.975 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.2 ptp180 -110.87 135.36 51.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.685 0.743 . . . . 2.27 110.417 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 65.67 16.85 10.68 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.796 -0.638 . . . . 1.78 110.716 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.7 m -91.48 154.2 19.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.066 -0.515 . . . . 1.16 110.914 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -93.38 91.79 7.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.235 0.54 . . . . 2.49 111.761 -179.465 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 mp -90.31 136.16 24.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.819 -0.628 . . . . 0.66 109.412 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -104.95 132.41 51.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.681 -0.236 . . . . 0.37 110.905 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.759 ' HA ' ' O ' ' A' ' 50' ' ' THR . 73.4 m -115.25 110.19 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.441 -0.345 . . . . 0.33 110.285 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.507 ' HG2' ' HB2' ' A' ' 5' ' ' LYS . 51.9 mt-10 -101.44 117.41 34.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.882 0.372 . . . . 1.39 110.096 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 48' ' ' THR . 96.6 t -108.65 127.04 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.53 -0.759 . . . . 0.22 112.495 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.1 t -113.98 126.55 71.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.71 -0.848 . . . . 0.95 108.71 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.508 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 24.6 tt0 -89.39 102.91 15.58 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.268 0.47 . . . . 2.06 112.268 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.502 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 70.7 m-20 -109.58 72.4 0.8 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.303 -0.628 . . . . 1.73 109.303 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.04 -101.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 111.14 -0.784 . . . . 0.4 111.14 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' O ' HG12 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -109.29 5.22 23.46 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.206 -0.664 . . . . 0.43 109.206 178.477 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.504 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 15.4 t70 -105.47 111.28 23.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.274 -0.875 . . . . 1.36 110.35 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -107.34 133.25 52.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.969 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 61.9 p -95.95 134.68 38.67 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.922 0.391 . . . . 0.56 110.923 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.724 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -114.61 102.59 10.18 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.865 -0.791 . . . . 0.42 108.865 178.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.759 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.9 m -104.96 120.12 40.68 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.117 -0.492 . . . . 0.35 110.395 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -107.53 116.82 32.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.203 -0.295 . . . . 1.62 110.203 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -105.86 135.57 47.06 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.79 -0.448 . . . . 0.37 109.79 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.472 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 8.3 t80 -109.37 131.67 21.73 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 116.297 -0.41 . . . . 1.23 110.617 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.0 Cg_endo -63.13 114.27 2.39 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.31 2.007 . . . . 0.46 111.295 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.69 24.56 72.72 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.86 -0.686 . . . . 0.46 113.04 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.84 -171.7 16.37 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.101 -1.047 . . . . 0.41 113.484 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.465 HH21 H213 ' A' ' 200' ' ' CHO . 0.0 OUTLIER -62.23 147.91 46.42 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.536 0.569 . . . . 3.34 112.536 -178.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 t -104.17 160.21 15.05 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.802 -0.814 . . . . 0.39 108.802 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.16 128.72 24.46 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.509 -0.314 . . . . 0.49 110.294 -178.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.442 HG23 HG23 ' A' ' 50' ' ' THR . 2.5 m -135.19 127.59 30.42 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.459 -0.496 . . . . 0.31 112.256 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.582 ' OD1' ' H62' ' A' ' 201' ' ' CHO . 6.8 p30 -139.94 141.38 36.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.443 -0.577 . . . . 1.72 109.443 178.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.7 p -118.15 126.07 51.49 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.201 -0.666 . . . . 1.04 109.201 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE2' ' H5 ' ' A' ' 201' ' ' CHO . 46.2 p90 -122.81 147.02 47.01 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.312 0.577 . . . . 0.88 111.703 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 65.8 m -111.76 125.74 54.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.268 -0.878 . . . . 0.25 109.599 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 45' ' ' ASN . 50.0 mm -53.27 128.28 12.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.648 0.261 . . . . 0.24 110.835 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.5 t70 73.89 18.48 3.31 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.289 -0.869 . . . . 1.1 110.22 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.523 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 40.7 tptt -137.86 150.51 47.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.214 -0.903 . . . . 1.59 110.021 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' LYS . 7.9 pt-20 -77.35 151.02 35.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.959 -0.756 . . . . 2.55 108.959 177.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 63' ' ' PHE . . . -137.42 152.64 49.83 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.025 0.379 . . . . 0.31 112.025 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.57 113.6 21.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.276 -0.875 . . . . 1.95 109.0 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.61 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 18.4 mtt -120.41 168.74 10.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.486 0.66 . . . . 0.26 112.606 -178.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.731 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.4 tt0 -154.75 140.23 17.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.043 -0.981 . . . . 1.47 109.095 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.621 HG23 ' HE1' ' A' ' 79' ' ' PHE . 21.1 p -95.0 169.95 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.97 0.414 . . . . 0.36 110.403 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.772 ' SD ' H122 ' A' ' 200' ' ' CHO . 52.4 mtt -66.91 -13.24 61.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 1.05 110.143 178.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.02 -7.54 73.77 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.781 -0.645 . . . . 0.48 111.675 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.93 53.68 2.64 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.095 -0.574 . . . . 0.48 111.943 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.731 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 10.6 mtp180 -118.12 123.82 46.51 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.302 -0.159 . . . . 0.85 111.057 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -96.55 122.3 39.31 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.445 -0.576 . . . . 1.76 109.445 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.654 ' HZ ' H181 ' A' ' 201' ' ' CHO . 45.2 p90 -155.43 168.87 25.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.045 0.45 . . . . 1.17 111.345 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 69' ' ' ALA . 2.1 mtpp -132.62 136.85 46.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.711 -0.677 . . . . 2.55 109.29 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -143.94 160.41 40.88 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.282 -0.417 . . . . 0.24 111.438 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -97.45 131.13 44.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.875 -0.602 . . . . 0.33 109.752 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.0 t -115.04 142.96 25.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.973 -0.38 . . . . 0.19 109.973 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' CG ' HG13 ' A' ' 91' ' ' VAL . 21.7 pttt -133.99 175.75 9.19 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.065 -0.346 . . . . 1.14 110.065 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mtt -127.73 118.08 23.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.579 -0.526 . . . . 0.41 109.579 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.529 ' HG3' HG11 ' A' ' 91' ' ' VAL . 1.4 mt-10 -125.2 104.4 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.403 -0.362 . . . . 2.67 110.772 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.35 37.42 47.81 Favored Glycine 0 CA--C 1.516 0.105 0 C-N-CA 121.219 -0.515 . . . . 0.46 112.475 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.25 27.8 71.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.504 -0.855 . . . . 0.36 111.774 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -131.07 127.12 37.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.151 -0.314 . . . . 1.76 110.151 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.48 HG21 ' CE1' ' A' ' 63' ' ' PHE . 1.3 mt -80.38 110.15 15.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.719 -0.474 . . . . 0.22 109.719 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.529 HG11 ' HG3' ' A' ' 86' ' ' GLU . 3.2 p -115.98 134.96 57.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.196 0.522 . . . . 0.25 111.003 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.737 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -114.88 142.89 45.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.711 -0.677 . . . . 0.25 110.421 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -102.76 123.63 46.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.173 0.511 . . . . 1.19 111.709 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.514 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 80.3 m-85 -138.88 157.2 72.07 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.144 -0.935 . . . . 1.27 109.66 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.37 112.54 2.38 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 121.554 1.503 . . . . 0.36 111.259 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.566 ' O ' ' HA ' ' A' ' 114' ' ' SER . 61.6 t30 65.52 12.01 7.86 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.021 -0.536 . . . . 1.5 111.356 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.637 ' CE1' H213 ' A' ' 201' ' ' CHO . 2.7 t80 -134.3 123.02 23.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.437 -0.579 . . . . 1.31 109.437 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.7 t60 -121.01 117.13 26.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.8 -0.636 . . . . 1.09 109.34 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.681 ' ND1' H122 ' A' ' 201' ' ' CHO . 4.5 t60 -112.24 128.42 56.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.684 -0.235 . . . . 0.67 110.823 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.0 p -134.83 130.3 35.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.391 -0.368 . . . . 0.31 110.368 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.83 136.59 53.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.463 -0.335 . . . . 0.26 110.328 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -154.52 175.25 13.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.942 0.401 . . . . 1.38 110.841 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 32.6 mm -117.55 116.99 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.37 109.607 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.8 m -128.96 108.01 10.07 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.994 -0.548 . . . . 1.37 110.546 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.9 28.83 55.95 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.792 -0.64 . . . . 0.96 112.042 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.45 22.15 73.59 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.856 -0.688 . . . . 0.5 112.284 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -133.62 151.02 51.6 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.005 0.431 . . . . 1.22 110.409 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.478 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.6 tm? -89.96 121.16 31.8 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.163 -0.926 . . . . 0.82 109.841 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.3 p -122.66 122.05 65.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.075 0.464 . . . . 0.33 109.981 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -108.25 134.45 51.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 1.69 110.12 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.11 130.45 72.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.738 -0.664 . . . . 0.37 109.94 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 15.1 m -126.44 115.49 19.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.101 -0.499 . . . . 0.37 110.406 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.598 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -101.24 130.06 47.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.249 -0.432 . . . . 0.27 110.844 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 73.2 m -145.71 114.68 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.788 -0.449 . . . . 1.43 109.788 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 m 59.5 25.84 14.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.661 -0.699 . . . . 0.63 111.475 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 99.18 -10.45 61.7 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.554 -0.831 . . . . 0.46 112.685 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 113' ' ' THR . 57.8 t -86.02 116.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.828 0.314 . . . . 0.53 110.402 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.598 HG22 HG23 ' A' ' 113' ' ' THR . 92.6 t -94.87 105.21 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.252 -0.431 . . . . 0.97 110.618 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -94.71 131.06 40.94 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.708 -0.678 . . . . 1.22 109.215 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -130.02 146.84 51.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.933 0.397 . . . . 1.17 111.905 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.559 ' NH1' ' H22' ' A' ' 200' ' ' CHO . 14.1 ptt-85 -144.98 136.94 25.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.532 -0.758 . . . . 2.48 109.917 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 10' ' ' SER . 58.2 m -114.07 121.37 43.61 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.778 -0.646 . . . . 0.43 110.332 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 18.5 m -118.46 132.24 56.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.975 0.417 . . . . 0.38 110.515 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 18.4 pttm -76.49 159.04 30.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 1.45 110.44 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.18 129.11 46.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 1.45 111.494 -178.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -146.43 167.51 7.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.321 -0.854 . . . . 0.35 109.099 179.117 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.098 -0.953 . . . . 1.27 109.484 178.751 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.946 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.946 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.671 0.272 . . . . 1.11 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -80.86 -26.01 37.27 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.914 0.338 . . . . 1.24 111.914 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.504 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -61.47 140.79 58.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.513 0.56 . . . . 0.26 112.513 -178.839 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 135.5 164.65 10.45 Favored Glycine 0 N--CA 1.438 -1.205 0 C-N-CA 120.533 -0.841 . . . . 0.21 112.932 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 140.41 29.75 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.125 -1.065 . . . . 1.54 108.125 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.654 ' CE2' ' HG2' ' A' ' 125' ' ' LYS . 88.7 m-85 -126.52 147.17 49.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.681 0.277 . . . . 1.29 111.156 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -130.75 152.81 49.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.447 -0.342 . . . . 1.41 110.111 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 6.9 t80 -47.54 116.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.111 0.882 . . . . 1.86 111.816 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -114.77 -40.53 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 1.46 110.407 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.55 169.48 24.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.374 -0.376 . . . . 1.01 111.06 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -156.89 152.47 26.8 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.065 -0.516 . . . . 1.72 110.03 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -148.38 136.78 21.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.003 -0.544 . . . . 1.44 109.772 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 63.54 34.57 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.996 0.81 . . . . 0.84 111.068 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -63.36 -59.25 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.39 111.825 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' HA ' HG22 ' A' ' 18' ' ' VAL . 25.8 m-20 -60.4 -38.6 84.49 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.328 -0.396 . . . . 1.3 111.565 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -40.81 97.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 1.46 110.137 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.494 ' O ' HG12 ' A' ' 21' ' ' ILE . 57.5 t80 -66.19 -53.07 41.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.612 -0.722 . . . . 1.24 111.053 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.509 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.3 m -62.23 -37.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.973 -0.558 . . . . 0.26 111.778 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER -74.45 -26.99 60.39 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.775 -0.37 . . . . 1.18 111.585 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -76.56 -44.57 34.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.385 -0.371 . . . . 0.88 111.217 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 17' ' ' PHE . 33.4 pt -76.19 -13.27 14.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.399 -0.364 . . . . 0.39 111.483 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.62 32.42 30.49 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.95 -0.643 . . . . 0.39 112.892 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.709 HD23 HG12 ' A' ' 28' ' ' ILE . 16.6 tp -67.37 134.66 93.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.591 -0.522 . . . . 0.31 109.591 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.43 ' O ' HG13 ' A' ' 28' ' ' ILE . 27.5 Cg_endo -63.61 139.04 67.72 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.052 1.835 . . . . 0.37 111.528 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.99 -37.48 64.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.926 -0.579 . . . . 0.39 111.485 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 30' ' ' MET . 18.5 t70 -56.94 -40.32 76.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.713 -0.676 . . . . 2.03 111.154 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HB3' H181 ' A' ' 200' ' ' CHO . 71.9 mmtt -87.48 -30.0 20.96 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.474 -0.33 . . . . 0.94 110.441 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.709 HG12 HD23 ' A' ' 23' ' ' LEU . 61.8 mt -60.19 -54.95 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 0.37 109.886 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 43.0 mm-40 -65.31 -33.94 77.15 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.139 -0.937 . . . . 1.73 110.103 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.528 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.3 tpt -65.42 -40.04 92.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.196 -0.911 . . . . 0.97 111.371 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.538 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -106.5 25.68 22.31 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 115.419 0.927 . . . . 0.51 115.419 -177.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.9 ptp180 -104.79 128.6 52.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 118.141 0.971 . . . . 2.27 111.05 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.17 21.5 12.57 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.301 -0.863 . . . . 1.78 110.814 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.1 m -89.96 141.64 28.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.782 -0.645 . . . . 1.16 110.101 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' HG2' ' HG3' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -72.64 85.62 1.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.176 0.512 . . . . 2.49 111.894 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mm -83.27 126.31 40.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.777 -0.647 . . . . 0.66 109.972 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 2.8 t -98.0 130.56 46.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.777 -0.453 . . . . 0.37 109.777 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.753 ' HA ' ' O ' ' A' ' 50' ' ' THR . 24.8 m -118.86 104.82 10.9 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 123.487 0.492 . . . . 0.33 110.024 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -94.22 113.98 26.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.15 -0.315 . . . . 1.39 110.15 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 48' ' ' THR . 60.2 t -107.46 121.92 61.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.543 -0.753 . . . . 0.22 111.985 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.64 134.36 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.433 -0.951 . . . . 0.95 108.433 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.504 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 6.3 tt0 -99.72 112.36 24.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.216 0.531 . . . . 2.06 111.128 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -126.79 78.86 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.731 -0.668 . . . . 1.73 109.891 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.36 -90.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.534 -0.626 . . . . 0.4 111.534 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.75 12.39 5.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.375 0.607 . . . . 0.43 109.885 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 36.7 t70 -106.08 110.91 23.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.095 -0.957 . . . . 1.36 109.61 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.402 ' CE2' ' HG3' ' A' ' 42' ' ' GLN . 77.7 m-85 -106.67 134.17 50.22 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.056 0.455 . . . . 1.0 110.086 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 43.3 p -95.81 135.3 37.7 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.904 -0.589 . . . . 0.56 111.03 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.648 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -115.99 100.95 8.33 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.821 -0.807 . . . . 0.42 108.821 178.459 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.753 ' O ' ' HA ' ' A' ' 38' ' ' THR . 3.1 m -105.89 117.89 35.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.56 -0.746 . . . . 0.35 110.067 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.464 ' NE2' HG23 ' A' ' 38' ' ' THR . 4.0 mp0 -105.62 116.76 32.49 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.945 -0.391 . . . . 1.62 109.945 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.511 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 83.2 m-70 -106.56 123.45 48.12 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.034 0.445 . . . . 0.37 109.891 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.528 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 5.9 t80 -99.39 124.73 43.66 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 115.355 -0.838 . . . . 1.23 110.748 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 28.0 Cg_endo -61.77 115.27 2.69 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.464 2.11 . . . . 0.46 112.188 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.89 22.77 75.82 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.742 -0.663 . . . . 0.46 113.126 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.14 -165.69 11.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.155 -1.021 . . . . 0.41 113.303 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.421 ' NH1' HG23 ' A' ' 59' ' ' THR . 0.2 OUTLIER -70.32 147.21 49.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.061 0.458 . . . . 3.34 111.9 -178.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.1 t -102.54 157.31 17.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.008 -0.542 . . . . 0.39 109.771 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.421 HG23 ' NH1' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -135.05 132.42 38.21 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.741 -0.466 . . . . 0.49 109.741 -179.575 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -141.27 138.42 33.21 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.016 -0.427 . . . . 0.31 111.823 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.549 ' OD1' ' H62' ' A' ' 201' ' ' CHO . 7.4 p30 -150.33 156.53 41.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.753 -0.658 . . . . 1.72 109.373 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.7 p -130.83 132.26 45.11 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.55 -0.537 . . . . 1.04 109.55 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.626 ' CE1' ' H5 ' ' A' ' 201' ' ' CHO . 46.2 p90 -132.52 138.53 47.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.515 0.674 . . . . 0.88 112.321 -178.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.509 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 57.5 m -104.82 130.47 52.93 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.167 -0.924 . . . . 0.25 108.806 178.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mm -56.11 125.98 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.445 -0.343 . . . . 0.24 111.121 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t0 74.52 22.39 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.117 0.886 . . . . 1.1 109.944 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.509 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 42.9 tptt -138.22 136.87 36.99 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.425 -0.807 . . . . 1.59 110.675 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -66.95 138.05 56.98 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.48 -0.563 . . . . 2.55 109.48 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.07 154.4 47.49 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.711 0.634 . . . . 0.31 112.711 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.29 118.11 26.5 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.12 -0.945 . . . . 1.95 108.606 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.601 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 10.3 mtt -123.14 169.6 11.06 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.483 0.658 . . . . 0.26 111.892 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.696 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 22.6 tt0 -153.67 138.48 17.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.704 -1.135 . . . . 1.47 108.802 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.718 HG22 H162 ' A' ' 201' ' ' CHO . 32.3 p -89.65 171.24 9.81 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.362 -0.607 . . . . 0.36 109.362 178.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.602 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 13.4 ttm -76.68 -3.78 39.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.032 0.444 . . . . 1.05 110.27 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.34 -6.7 62.62 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.849 -0.9 . . . . 0.48 110.849 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.97 26.97 9.83 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.891 -0.671 . . . . 0.48 113.297 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.696 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 15.4 mtp180 -97.05 120.63 37.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.291 0.546 . . . . 0.85 110.963 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.92 129.46 46.78 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.704 -0.85 . . . . 1.76 108.704 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.769 ' HZ ' H181 ' A' ' 201' ' ' CHO . 35.3 p90 -158.66 176.79 11.94 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.911 0.337 . . . . 1.17 111.911 -177.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.26 137.65 50.11 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.427 -0.583 . . . . 2.55 109.427 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.6 161.65 42.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.567 -0.288 . . . . 0.24 110.935 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.76 140.42 33.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.933 0.397 . . . . 0.33 110.657 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.57 135.18 64.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.435 . . . . 0.19 109.841 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.425 ' CG ' HG13 ' A' ' 91' ' ' VAL . 19.4 pttt -127.52 177.62 6.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.844 -0.428 . . . . 1.14 109.844 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.7 mtt -129.07 141.29 51.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.692 0.282 . . . . 0.41 110.757 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.48 104.08 6.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.856 -0.611 . . . . 2.67 110.585 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.14 34.95 90.72 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.176 -0.535 . . . . 0.46 113.311 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.43 15.11 66.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.594 -0.812 . . . . 0.36 112.54 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.443 ' HD2' ' CD ' ' A' ' 102' ' ' GLU . 2.8 mtmp? -120.52 125.2 47.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.961 -0.755 . . . . 1.76 108.961 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 100' ' ' THR . 2.3 mt -80.14 119.77 30.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 116.108 -0.496 . . . . 0.22 111.55 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG13 ' CG ' ' A' ' 84' ' ' LYS . 6.6 p -120.33 129.2 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.285 0.564 . . . . 0.25 110.951 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.819 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -105.59 141.67 36.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.795 -0.639 . . . . 0.25 110.219 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -96.94 122.58 40.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.073 0.463 . . . . 1.19 111.488 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 71.1 m-85 -146.11 155.05 51.0 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.3 -0.864 . . . . 1.27 109.721 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -66.94 111.56 2.23 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.017 1.811 . . . . 0.36 111.401 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.69 ' O ' ' HA ' ' A' ' 114' ' ' SER . 3.0 t-20 63.04 11.28 5.05 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.922 -0.581 . . . . 1.5 111.866 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.735 ' CZ ' H213 ' A' ' 201' ' ' CHO . 3.2 t80 -125.9 127.42 45.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.95 -0.759 . . . . 1.31 108.95 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.465 ' O ' ' HA ' ' A' ' 112' ' ' SER . 3.3 t60 -126.57 109.45 12.14 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.921 -0.581 . . . . 1.09 109.892 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.462 ' ND1' H122 ' A' ' 201' ' ' CHO . 3.9 t60 -105.32 119.1 38.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.492 -0.322 . . . . 0.67 110.367 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 26.5 p -126.11 129.65 49.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.433 -0.348 . . . . 0.31 110.646 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.68 135.65 54.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.123 -0.49 . . . . 0.26 110.282 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.443 ' CD ' ' HD2' ' A' ' 89' ' ' LYS . 2.8 pt-20 -151.92 171.18 18.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.952 0.406 . . . . 1.38 110.763 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.5 mm -108.43 122.7 63.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.379 -0.828 . . . . 0.37 109.179 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.3 m -136.0 99.63 4.2 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.199 0.523 . . . . 1.37 110.351 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.39 35.88 40.85 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.523 -0.762 . . . . 0.96 111.68 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.37 30.21 71.49 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.251 -0.739 . . . . 0.5 111.251 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -135.08 146.79 49.25 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.758 0.314 . . . . 1.22 110.713 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.57 HD12 ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -92.37 113.71 26.06 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.054 -0.721 . . . . 0.82 109.054 179.211 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 p -113.99 112.37 39.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.45 -0.574 . . . . 0.33 109.45 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.57 ' HG3' HD12 ' A' ' 108' ' ' LEU . 23.3 mt-10 -103.04 131.96 49.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.593 -0.731 . . . . 1.69 110.735 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.496 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.6 mp -115.36 127.39 72.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.445 -0.798 . . . . 0.37 109.276 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 13.4 m -125.2 106.1 9.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.262 -0.427 . . . . 0.37 110.553 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.554 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -94.13 137.07 33.74 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.149 -0.478 . . . . 0.27 110.33 179.475 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.69 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 60.3 p -150.15 113.48 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.27 0.356 . . . . 1.43 110.821 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.1 m 54.87 34.0 21.12 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.649 -0.705 . . . . 0.63 112.362 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.43 -31.7 8.34 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.73 -0.748 . . . . 0.46 113.214 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.01 126.34 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.85 0.325 . . . . 0.53 110.417 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.2 p -108.51 107.38 22.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.569 0.699 . . . . 0.97 111.164 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.417 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 30.9 t80 -89.1 135.85 33.34 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.487 -0.779 . . . . 1.22 109.842 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.496 ' HG2' HG13 ' A' ' 111' ' ' ILE . 15.5 mtpt -133.03 139.69 47.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.523 -0.308 . . . . 1.17 110.762 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.31 130.89 17.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.119 0.485 . . . . 2.48 110.569 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.7 m -106.01 134.95 48.32 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.703 -0.681 . . . . 0.43 109.76 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.2 m -124.62 137.68 54.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.002 0.43 . . . . 0.38 110.702 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 64.8 pttt -78.26 155.63 30.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.728 -0.669 . . . . 1.45 110.777 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.654 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 123.1 43.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.187 0.518 . . . . 1.45 110.393 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.561 ' N ' ' HD2' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -141.11 168.84 15.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.547 -0.751 . . . . 0.35 109.163 179.176 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.254 -0.879 . . . . 1.27 109.531 178.253 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.949 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.949 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.724 0.297 . . . . 1.11 111.078 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -101.13 -26.35 13.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.168 -0.469 . . . . 1.24 111.466 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.504 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 1.6 m -60.56 144.58 51.25 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.061 0.458 . . . . 0.26 111.916 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.491 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 128.89 175.71 14.16 Favored Glycine 0 N--CA 1.438 -1.191 0 C-N-CA 120.724 -0.75 . . . . 0.21 112.045 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -99.95 142.26 31.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.858 -0.793 . . . . 1.54 108.858 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.561 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 98.5 m-85 -123.96 150.36 44.86 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.136 -0.32 . . . . 1.29 110.136 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.431 ' HB2' HD11 ' A' ' 126' ' ' ILE . 1.0 OUTLIER -133.52 147.62 51.61 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.343 0.402 . . . . 1.41 110.347 179.274 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 3.4 t80 -51.58 114.84 1.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.061 0.85 . . . . 1.86 110.743 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -105.46 -53.36 2.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.978 0.418 . . . . 1.46 110.402 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m -154.53 160.6 41.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.13 -0.486 . . . . 1.01 110.83 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' A' ' 14' ' ' TYR . 3.9 p-10 -147.24 149.59 33.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.154 0.502 . . . . 1.72 110.846 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -136.01 142.65 44.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.973 -0.558 . . . . 1.44 110.474 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.04 37.61 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.199 -0.91 . . . . 0.84 111.641 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.505 ' HB2' ' OD2' ' A' ' 11' ' ' ASP . 63.0 t80 -64.42 -61.71 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.712 -0.222 . . . . 1.39 111.337 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.03 -36.65 70.71 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.933 0.397 . . . . 1.3 110.806 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.96 -46.23 78.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.903 -0.59 . . . . 1.46 110.578 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.504 ' O ' HG12 ' A' ' 21' ' ' ILE . 48.7 t80 -64.93 -52.97 53.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.003 -0.544 . . . . 1.24 111.518 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 14' ' ' TYR . 34.5 m -61.47 -35.24 65.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.24 0.459 . . . . 0.26 112.24 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.62 -25.23 49.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.932 0.396 . . . . 1.18 110.619 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -78.49 -45.1 22.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.843 -0.617 . . . . 0.88 111.671 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 17' ' ' PHE . 39.2 pt -75.11 -17.62 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.455 -0.339 . . . . 0.39 111.547 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.75 29.33 16.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.264 -0.97 . . . . 0.39 112.686 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.979 HD11 H152 ' A' ' 200' ' ' CHO . 26.4 tp -64.71 137.37 97.12 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.554 -0.536 . . . . 0.31 109.554 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.762 ' HD2' HD12 ' A' ' 23' ' ' LEU . 26.6 Cg_endo -63.14 136.22 54.94 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.248 1.965 . . . . 0.37 111.976 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.04 -39.09 65.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.661 -0.7 . . . . 0.39 111.427 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.3 -45.97 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.09 -0.959 . . . . 2.03 111.791 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.481 ' HB3' ' H20' ' A' ' 200' ' ' CHO . 38.0 mmtt -87.99 -23.13 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.871 -0.332 . . . . 0.94 111.679 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.648 HG12 HD23 ' A' ' 23' ' ' LEU . 19.5 mt -59.4 -57.07 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 123.258 0.349 . . . . 0.37 111.263 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 25.9 mt-10 -72.84 -31.2 64.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.076 -0.511 . . . . 1.73 110.845 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.906 ' HE3' H211 ' A' ' 200' ' ' CHO . 0.1 OUTLIER -69.68 -29.48 66.93 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.976 -0.556 . . . . 0.97 111.189 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.04 27.26 11.09 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.859 -0.686 . . . . 0.51 112.827 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 31.3 ptt180 -105.78 135.38 47.31 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.24 -0.282 . . . . 2.27 110.24 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.27 22.44 12.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.813 -0.63 . . . . 1.78 110.709 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 36' ' ' ILE . 25.6 p -89.67 160.9 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.685 -0.688 . . . . 1.16 110.562 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.91 98.84 11.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.386 0.613 . . . . 2.49 111.862 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.519 HD11 ' SG ' ' A' ' 34' ' ' CYS . 24.6 mm -95.46 124.97 48.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.809 -0.632 . . . . 0.66 110.43 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 3.6 t -99.5 129.87 49.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.808 -0.441 . . . . 0.37 109.808 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.757 ' HA ' ' O ' ' A' ' 50' ' ' THR . 7.4 m -114.53 108.76 17.28 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.422 -0.354 . . . . 0.33 110.451 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -96.62 117.19 30.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 110.012 -0.366 . . . . 1.39 110.012 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 48' ' ' THR . 78.0 t -112.0 122.41 66.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.22 110.85 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.462 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 94.4 t -110.08 132.31 58.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.155 -0.683 . . . . 0.95 109.155 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.504 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 4.3 tp-100 -82.42 116.01 21.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.136 0.421 . . . . 2.06 112.136 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 84.9 m-20 -129.45 70.13 1.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.976 -0.556 . . . . 1.73 109.732 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.04 -92.41 0.14 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.006 -0.616 . . . . 0.4 111.817 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.56 0.23 10.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.236 0.541 . . . . 0.43 109.711 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 29.7 t70 -100.89 108.49 20.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.696 -0.684 . . . . 1.36 109.908 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -103.28 130.05 50.43 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.709 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.9 OUTLIER -92.28 125.33 36.9 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.924 -0.58 . . . . 0.56 110.214 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -110.31 103.13 11.76 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.478 -0.564 . . . . 0.42 109.478 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.757 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.9 m -103.85 132.61 49.94 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.198 -0.455 . . . . 0.35 110.813 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -115.74 115.91 27.15 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.336 -0.616 . . . . 1.62 109.336 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.4 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 88.7 m-70 -103.77 126.06 50.65 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.077 0.465 . . . . 0.37 110.965 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.591 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 3.0 t80 -105.57 125.61 32.93 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 115.325 -0.852 . . . . 1.23 109.256 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.9 Cg_endo -61.94 112.85 1.63 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.345 2.03 . . . . 0.46 111.775 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.88 29.95 76.69 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.919 -0.582 . . . . 0.46 112.478 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.31 -166.74 12.67 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.022 -1.085 . . . . 0.41 113.826 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.89 152.53 31.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.615 -0.793 . . . . 3.34 111.218 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.2 t -119.53 158.13 26.93 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 120.8 0.333 . . . . 0.39 110.12 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.5 m -139.19 128.93 24.72 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.19 -0.459 . . . . 0.49 110.128 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 m -133.61 118.97 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.774 0.321 . . . . 0.31 111.466 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -122.4 146.07 47.7 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.202 0.525 . . . . 1.72 110.777 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 p -126.15 121.04 31.71 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.603 -0.726 . . . . 1.04 109.181 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 53.6 p90 -129.34 142.75 50.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.167 0.508 . . . . 0.88 111.693 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.497 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 76.2 m -108.45 127.39 53.87 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.369 -0.832 . . . . 0.25 108.967 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.8 mm -55.0 126.57 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.646 0.26 . . . . 0.24 110.985 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t0 75.11 22.56 1.75 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.199 0.937 . . . . 1.1 110.616 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.6 tptt -136.61 144.13 43.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.518 -0.765 . . . . 1.59 110.676 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.8 125.53 27.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.771 -0.826 . . . . 2.55 108.771 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.93 163.59 16.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.197 0.522 . . . . 0.31 112.332 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.28 122.18 38.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.924 -1.034 . . . . 1.95 108.561 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 11.3 mtt -126.31 167.45 15.47 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.515 0.674 . . . . 0.26 112.592 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.699 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 52.4 tt0 -156.39 141.08 16.96 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.467 -1.242 . . . . 1.47 108.705 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.816 HG22 H162 ' A' ' 201' ' ' CHO . 22.6 p -87.46 -176.71 5.7 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.385 -0.598 . . . . 0.36 109.385 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.784 ' HB2' ' H14' ' A' ' 200' ' ' CHO . 7.5 mtp -83.3 -3.88 57.89 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.995 -0.743 . . . . 1.05 108.995 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA2' H161 ' A' ' 200' ' ' CHO . . . -92.8 -7.05 63.2 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 111.233 -0.747 . . . . 0.48 111.233 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.86 29.06 12.28 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.216 -0.516 . . . . 0.48 112.844 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.699 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 29.0 mtp180 -93.57 122.99 36.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.65 0.225 . . . . 0.85 110.792 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -98.75 124.17 43.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.79 0.328 . . . . 1.76 110.441 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.834 ' HZ ' H181 ' A' ' 201' ' ' CHO . 39.3 p90 -155.29 173.35 16.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 1.17 111.216 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.72 143.74 50.96 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.32 -0.622 . . . . 2.55 109.32 179.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -155.38 162.09 40.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.686 0.279 . . . . 0.24 110.711 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.43 129.84 50.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.929 -0.397 . . . . 0.33 109.929 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.53 144.9 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.534 -0.303 . . . . 0.19 110.615 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.455 ' CG ' HG13 ' A' ' 91' ' ' VAL . 6.8 pttt -134.41 -179.23 5.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.156 -0.313 . . . . 1.14 110.156 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 mtt -131.03 130.53 43.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.716 -0.22 . . . . 0.41 110.695 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -121.32 93.15 3.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.403 -0.362 . . . . 2.67 110.617 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.37 50.08 65.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.983 -0.627 . . . . 0.46 113.107 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.63 17.75 78.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.858 -0.687 . . . . 0.36 113.209 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -122.84 119.51 30.75 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.866 -0.42 . . . . 1.76 109.866 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.431 HG21 ' CE1' ' A' ' 63' ' ' PHE . 1.8 mt -78.64 107.79 11.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.769 -0.456 . . . . 0.22 109.769 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.455 HG13 ' CG ' ' A' ' 84' ' ' LYS . 2.5 p -113.13 135.05 53.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.223 0.535 . . . . 0.25 110.997 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.617 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -117.45 145.41 44.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.705 -0.68 . . . . 0.25 109.772 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -103.08 124.05 47.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.385 . . . . 1.19 111.858 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 97' ' ' TYR . 89.4 m-85 -140.77 155.62 69.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.4 -0.818 . . . . 1.27 110.406 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.61 115.8 4.41 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.375 2.05 . . . . 0.36 111.831 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 114' ' ' SER . 56.1 t30 68.17 9.04 6.95 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.565 0.698 . . . . 1.5 110.806 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.71 ' CE1' H213 ' A' ' 201' ' ' CHO . 2.1 t80 -136.39 125.62 24.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.92 -0.582 . . . . 1.31 109.803 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' O ' ' HA ' ' A' ' 112' ' ' SER . 10.0 t60 -121.11 123.48 42.43 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.816 -0.809 . . . . 1.09 108.816 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.674 ' ND1' H122 ' A' ' 201' ' ' CHO . 1.8 t60 -123.56 119.27 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.972 0.415 . . . . 0.67 111.134 -178.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.0 p -127.95 128.57 45.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.884 -0.598 . . . . 0.31 110.864 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.63 130.02 56.18 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.361 -0.607 . . . . 0.26 109.361 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -153.17 172.84 16.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.084 0.469 . . . . 1.38 111.25 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.9 mm -109.63 122.24 63.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.151 -0.931 . . . . 0.37 109.613 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.6 m -137.27 113.83 10.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.233 -0.44 . . . . 1.37 110.024 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.27 28.12 64.63 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.052 -0.819 . . . . 0.96 111.052 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.74 25.76 73.14 Favored Glycine 0 C--N 1.332 0.338 0 N-CA-C 111.655 -0.578 . . . . 0.5 111.655 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -135.69 153.36 51.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.888 0.375 . . . . 1.22 111.24 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 1.4 tm? -91.14 118.15 30.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.605 -0.725 . . . . 0.82 109.083 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.8 115.37 46.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.2 0.524 . . . . 0.33 110.395 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.431 ' HG3' ' CD1' ' A' ' 108' ' ' LEU . 62.6 mt-10 -101.57 125.54 48.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.891 -0.595 . . . . 1.69 109.922 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.444 HG13 ' HG2' ' A' ' 120' ' ' LYS . 5.1 mp -109.62 127.59 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.605 -0.725 . . . . 0.37 109.379 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 9.7 m -125.17 115.09 19.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.949 -0.569 . . . . 0.37 110.239 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.773 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -102.16 130.47 48.81 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.652 -0.249 . . . . 0.27 110.622 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 45.0 m -146.99 113.29 5.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 1.43 110.495 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.3 m 55.3 38.23 30.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.345 -0.843 . . . . 0.63 112.646 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.81 -22.34 39.82 Favored Glycine 0 C--N 1.328 0.134 0 C-N-CA 120.621 -0.799 . . . . 0.46 113.807 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.1 t -85.26 120.01 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.299 0.55 . . . . 0.53 110.727 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.773 HG22 HG23 ' A' ' 113' ' ' THR . 62.0 t -98.48 105.92 18.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.594 -0.73 . . . . 0.97 111.045 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -90.93 130.54 36.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.393 -0.821 . . . . 1.22 109.133 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.444 ' HG2' HG13 ' A' ' 111' ' ' ILE . 17.5 mtpt -130.81 124.37 31.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.087 0.47 . . . . 1.17 111.593 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -124.76 127.7 47.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.729 -0.669 . . . . 2.48 110.416 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.0 m -105.21 132.9 50.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.774 -0.648 . . . . 0.43 109.852 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m -128.24 137.66 52.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.351 -0.386 . . . . 0.38 110.515 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 16.0 pttm -83.16 158.1 22.49 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.947 -0.57 . . . . 1.45 109.722 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.491 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -104.84 121.54 43.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.084 0.468 . . . . 1.45 110.581 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.431 HD11 ' HB2' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -132.53 165.95 30.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.628 -0.715 . . . . 0.35 109.316 179.445 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.69 -0.671 . . . . 1.27 109.703 178.842 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.979 H152 HD11 ' A' ' 23' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.883 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 112.058 0.392 . . . . 1.11 112.058 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -89.13 -5.17 57.97 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.044 0.387 . . . . 1.24 112.044 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.91 144.07 49.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.605 0.594 . . . . 0.26 112.605 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.518 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 124.21 174.58 14.13 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.353 -0.927 . . . . 0.21 113.316 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.9 145.8 25.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.874 -0.787 . . . . 1.54 108.874 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 91.1 m-85 -130.44 140.63 50.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.135 -0.32 . . . . 1.29 110.135 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -126.82 146.81 50.13 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.072 -0.513 . . . . 1.41 110.071 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -49.54 120.43 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.07 0.856 . . . . 1.86 112.183 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.29 -50.87 2.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.841 -0.618 . . . . 1.46 110.122 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.1 m -154.45 165.71 35.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 1.01 110.588 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' OD2' ' HB2' ' A' ' 14' ' ' TYR . 1.9 p-10 -158.83 169.17 24.96 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.835 -0.431 . . . . 1.72 109.835 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -152.36 140.92 20.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.496 -0.32 . . . . 1.44 110.855 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 61.65 30.3 18.49 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.128 -0.942 . . . . 0.84 112.564 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.492 ' O ' HG22 ' A' ' 18' ' ' VAL . 58.3 t80 -61.17 -58.74 7.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.526 0.203 . . . . 1.39 111.069 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.22 -42.54 77.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.909 -0.587 . . . . 1.3 111.546 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -43.82 91.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.124 0.488 . . . . 1.46 110.673 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HB2' ' HB2' ' A' ' 119' ' ' TYR . 87.3 t80 -63.21 -55.51 24.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.453 -0.794 . . . . 1.24 111.301 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 14' ' ' TYR . 27.1 m -59.48 -37.09 68.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.0 -0.546 . . . . 0.26 111.994 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -74.14 -28.93 61.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.664 0.269 . . . . 1.18 110.871 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -77.45 -41.41 39.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.88 111.297 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.0 pt -75.61 -14.45 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.68 0.276 . . . . 0.39 111.55 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.03 31.3 12.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.423 -0.894 . . . . 0.39 113.078 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.763 HD11 H152 ' A' ' 200' ' ' CHO . 19.2 tp -71.68 130.47 87.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.472 -0.566 . . . . 0.31 109.472 178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.564 ' HD2' HD12 ' A' ' 23' ' ' LEU . 32.2 Cg_endo -66.37 142.77 67.33 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.291 1.994 . . . . 0.37 111.726 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.9 -36.22 62.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.39 111.277 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 30' ' ' MET . 2.9 m-20 -54.73 -42.92 72.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.762 . . . . 2.03 111.156 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.644 ' HE3' H162 ' A' ' 200' ' ' CHO . 8.1 mmmt -86.84 -30.34 21.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 0.94 110.78 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.649 HG12 HD23 ' A' ' 23' ' ' LEU . 42.7 mt -61.07 -56.48 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.37 110.446 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -64.42 -31.33 72.49 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.376 0.608 . . . . 1.73 110.596 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 9.1 tpt -66.66 -37.56 85.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.097 -0.956 . . . . 0.97 110.749 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.39 32.22 5.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.837 -0.697 . . . . 0.51 113.016 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -85.95 103.66 14.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.478 -0.425 . . . . 2.27 112.063 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m120 56.37 28.13 13.05 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.533 -0.758 . . . . 1.78 111.973 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.5 m -76.37 164.6 25.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.718 0.294 . . . . 1.16 110.752 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.8 77.03 2.74 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.103 0.477 . . . . 2.49 112.096 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mm -83.07 122.12 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.367 -0.379 . . . . 0.66 110.039 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.3 t -98.78 127.86 50.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 0.37 110.217 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.604 HG23 ' OE1' ' A' ' 51' ' ' GLN . 26.1 m -110.67 108.15 17.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.923 -0.581 . . . . 0.33 109.855 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 55.2 mt-10 -98.03 120.37 38.3 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.809 -0.356 . . . . 1.39 110.097 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.6 t -113.91 122.52 68.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.268 -0.424 . . . . 0.22 111.958 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -107.6 126.45 63.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.213 -1.032 . . . . 0.95 108.213 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -99.97 109.08 21.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.799 0.666 . . . . 2.06 112.799 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -126.09 74.98 1.48 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.097 1.427 . . . . 1.73 108.885 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.06 -111.68 3.38 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 113.446 -1.706 . . . . 0.4 112.04 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.04 0.55 32.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.99 0.424 . . . . 0.43 110.566 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 24.9 t70 -100.94 114.06 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.191 -0.459 . . . . 1.36 111.077 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -109.69 137.87 46.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.627 -0.715 . . . . 1.0 109.896 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 1.2 p -106.39 133.86 50.42 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.147 -0.479 . . . . 0.56 111.165 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.32 101.26 10.27 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.082 -0.71 . . . . 0.42 109.082 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.468 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 1.1 m -103.77 107.51 18.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.31 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.604 ' OE1' HG23 ' A' ' 38' ' ' THR . 6.8 mm100 -98.27 118.88 35.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.93 0.395 . . . . 1.62 110.321 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -105.09 123.85 48.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.494 0.664 . . . . 0.37 111.01 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.522 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.3 t80 -100.7 125.63 38.15 Favored Pre-proline 0 C--N 1.315 -0.897 0 CA-C-N 114.681 -1.145 . . . . 1.23 109.869 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.522 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 33.7 Cg_endo -64.54 115.44 3.2 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.472 2.115 . . . . 0.46 111.605 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.56 30.15 76.79 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.835 -0.697 . . . . 0.46 112.636 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.14 -166.95 12.74 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.717 -0.754 . . . . 0.41 112.767 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.9 147.38 35.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.361 0.601 . . . . 3.34 111.246 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 t -99.09 160.79 14.01 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.74 -0.663 . . . . 0.39 110.544 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.2 114.26 8.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.548 -0.296 . . . . 0.49 110.5 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -119.16 123.01 43.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.137 0.494 . . . . 0.31 111.444 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -122.57 133.27 54.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.963 -0.562 . . . . 1.72 110.074 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.7 p -113.19 122.86 48.78 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.104 -0.702 . . . . 1.04 109.104 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.459 ' CZ ' ' H3 ' ' A' ' 201' ' ' CHO . 47.2 p90 -133.59 135.24 44.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.777 0.798 . . . . 0.88 112.371 -178.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 53.5 m -104.39 129.21 52.34 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.885 -1.052 . . . . 0.25 108.899 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.411 HG21 ' HB2' ' A' ' 85' ' ' MET . 45.9 mm -54.27 128.03 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.857 0.361 . . . . 0.24 111.134 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 t70 74.66 17.6 2.93 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.045 -0.98 . . . . 1.1 110.55 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 34.9 tptt -130.57 143.78 50.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.733 -0.667 . . . . 1.59 110.424 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -74.89 125.03 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.807 -0.812 . . . . 2.55 108.807 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.52 158.17 21.99 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.222 0.452 . . . . 0.31 112.222 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -95.82 120.1 35.49 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.729 -1.212 . . . . 1.95 107.729 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.638 ' SD ' H191 ' A' ' 201' ' ' CHO . 8.7 mtt -123.23 168.35 12.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.824 0.821 . . . . 0.26 112.595 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.617 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.5 tt0 -155.23 141.85 18.85 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.288 -1.324 . . . . 1.47 108.745 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 1.038 HG22 H162 ' A' ' 201' ' ' CHO . 30.9 p -96.55 173.12 7.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.141 0.496 . . . . 0.36 110.379 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.697 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 31.6 mtt -76.36 -10.5 59.44 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.451 -0.574 . . . . 1.05 109.451 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.19 -18.0 65.73 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.621 -0.992 . . . . 0.48 110.621 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.99 22.75 7.77 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.773 -0.727 . . . . 0.48 112.642 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.617 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 6.9 mtp85 -92.39 119.63 32.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.064 0.432 . . . . 0.85 110.78 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.53 124.35 47.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.789 -0.819 . . . . 1.76 108.789 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.889 ' HZ ' H181 ' A' ' 201' ' ' CHO . 51.4 p90 -158.93 178.11 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.709 0.29 . . . . 1.17 111.352 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -136.01 146.45 47.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.293 -0.412 . . . . 2.55 110.127 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.39 161.83 41.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.878 0.37 . . . . 0.24 111.491 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -99.21 131.12 45.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.33 109.747 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -114.43 137.86 46.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.801 -0.444 . . . . 0.19 109.801 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.482 ' CG ' HG13 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -129.04 176.4 7.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.636 0.255 . . . . 1.14 110.407 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.411 ' HB2' HG21 ' A' ' 65' ' ' ILE . 1.3 mtt -130.3 126.09 36.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.147 -0.316 . . . . 0.41 110.147 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -124.41 104.19 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.866 0.365 . . . . 2.67 110.71 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.01 36.11 80.39 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.952 -0.567 . . . . 0.46 112.925 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.46 19.67 73.45 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.976 -0.63 . . . . 0.36 112.309 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -122.29 125.5 46.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.271 -0.641 . . . . 1.76 109.271 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mt -80.21 114.88 21.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.798 0.333 . . . . 0.22 110.239 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.482 HG13 ' CG ' ' A' ' 84' ' ' LYS . 3.0 p -116.65 128.06 74.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.302 0.572 . . . . 0.25 110.795 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.7 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -106.51 139.02 41.63 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.93 -0.577 . . . . 0.25 110.061 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -97.74 122.56 40.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.103 0.478 . . . . 1.19 111.381 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.474 ' CE2' H111 ' A' ' 201' ' ' CHO . 68.7 m-85 -145.68 159.03 48.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.319 -0.855 . . . . 1.27 110.3 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -80.97 120.79 3.86 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.091 1.861 . . . . 0.36 111.077 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 114' ' ' SER . 1.5 m120 63.8 22.22 12.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.268 -0.424 . . . . 1.5 110.422 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.645 ' CZ ' H213 ' A' ' 201' ' ' CHO . 3.3 t80 -148.45 127.54 12.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.869 -0.605 . . . . 1.31 110.277 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.584 ' O ' ' HA ' ' A' ' 112' ' ' SER . 34.1 t60 -126.75 115.33 19.22 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.578 -0.897 . . . . 1.09 108.578 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.749 ' ND1' H122 ' A' ' 201' ' ' CHO . 3.8 t-160 -117.9 113.43 21.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.575 0.226 . . . . 0.67 111.178 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.427 HG22 ' HB ' ' A' ' 91' ' ' VAL . 13.0 p -123.35 129.09 50.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.356 -0.384 . . . . 0.31 110.524 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.28 136.79 52.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.174 -0.466 . . . . 0.26 109.957 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -155.83 175.65 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.772 0.32 . . . . 1.38 111.004 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 107' ' ' LYS . 13.7 mm -112.36 110.86 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.777 -0.647 . . . . 0.37 109.39 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.8 m -121.84 117.56 26.82 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.676 -0.693 . . . . 1.37 109.714 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.12 30.96 76.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.672 -0.775 . . . . 0.96 111.435 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.75 18.64 78.89 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.253 -0.498 . . . . 0.5 111.904 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 103' ' ' ILE . 21.5 mttp -124.74 151.97 44.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 1.22 111.173 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.6 tm? -89.86 116.54 28.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.717 -0.846 . . . . 0.82 108.717 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.0 p -123.84 119.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 121.219 0.533 . . . . 0.33 110.293 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.48 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 39.3 mt-10 -108.26 125.88 52.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.363 -0.835 . . . . 1.69 110.15 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.98 122.07 59.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.79 -0.818 . . . . 0.37 108.79 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -120.87 111.32 17.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.987 -0.551 . . . . 0.37 110.681 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.684 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -99.57 136.47 39.46 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.308 -0.405 . . . . 0.27 110.728 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 75.7 m -149.9 112.55 4.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.302 -0.408 . . . . 1.43 110.987 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.3 m 59.23 32.42 21.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.74 . . . . 0.63 111.714 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 100.52 -28.58 15.17 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.47 -0.871 . . . . 0.46 113.394 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.46 125.69 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 117.193 0.496 . . . . 0.53 110.946 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.684 HG22 HG23 ' A' ' 113' ' ' THR . 58.8 t -101.12 108.95 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 0.97 111.055 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 32.4 t80 -96.76 128.61 43.87 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.697 -0.683 . . . . 1.22 109.37 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -123.91 143.76 50.18 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.854 0.359 . . . . 1.17 110.73 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 2.1 ptp180 -138.66 136.25 35.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.966 -0.561 . . . . 2.48 110.234 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.2 m -116.78 123.12 46.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.843 -0.617 . . . . 0.43 110.257 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.2 m -124.46 139.86 53.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.143 -0.48 . . . . 0.38 110.352 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 15.3 pttt -87.44 154.46 20.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.262 -0.426 . . . . 1.45 109.987 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.518 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -98.91 114.8 27.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 1.45 110.549 -179.592 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.37 156.02 32.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.656 -0.702 . . . . 0.35 109.66 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.192 -0.909 . . . . 1.27 109.796 179.847 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.881 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 1.038 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 111.605 0.224 . . . . 1.11 111.605 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -85.47 -30.88 23.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.0 -0.28 . . . . 1.24 111.048 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.67 141.78 58.64 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.337 0.495 . . . . 0.26 112.337 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.26 172.26 13.0 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.77 -0.729 . . . . 0.21 112.622 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -94.77 143.97 26.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.921 -0.77 . . . . 1.54 108.921 178.165 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.488 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 92.3 m-85 -129.39 136.17 49.62 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.241 -0.436 . . . . 1.29 109.947 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -120.62 144.61 48.05 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.127 -0.488 . . . . 1.41 110.318 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 11' ' ' ASP . 1.5 t80 -49.17 115.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.049 -0.978 . . . . 1.86 112.454 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.487 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.7 tp10 -110.3 -48.98 3.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.702 -0.681 . . . . 1.46 109.994 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.3 m -153.65 163.78 39.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.933 -0.576 . . . . 1.01 110.862 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 2.0 p-10 -148.44 162.14 40.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.528 -0.545 . . . . 1.72 109.528 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -149.09 137.99 21.29 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.101 -0.5 . . . . 1.44 110.592 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 62.86 44.04 6.54 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.022 -0.99 . . . . 0.84 112.017 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.59 -58.63 3.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.699 0.259 . . . . 1.39 111.699 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -58.62 -41.6 86.3 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.226 -0.443 . . . . 1.3 111.525 -178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -40.84 98.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.073 -0.512 . . . . 1.46 110.323 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.474 ' HZ ' ' CE2' ' A' ' 97' ' ' TYR . 32.3 t80 -65.74 -55.45 17.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.119 -0.946 . . . . 1.24 111.217 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -59.64 -39.42 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.816 -0.629 . . . . 0.26 111.99 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -72.52 -25.28 61.33 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.917 -0.313 . . . . 1.18 111.375 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -81.7 -48.0 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.836 0.31 . . . . 0.88 111.836 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 17' ' ' PHE . 29.1 pt -68.88 -18.94 23.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 0.39 111.865 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.34 38.9 6.53 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.417 -0.896 . . . . 0.39 112.261 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.678 HD23 HG12 ' A' ' 28' ' ' ILE . 14.8 tp -77.57 130.49 73.82 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 110.413 -0.218 . . . . 0.31 110.413 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 36.0 Cg_endo -67.47 144.92 69.11 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.293 1.995 . . . . 0.37 111.865 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.92 -33.34 62.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.483 -0.326 . . . . 0.39 111.188 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.18 -41.49 79.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.592 -0.731 . . . . 2.03 111.293 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HD2' H222 ' A' ' 200' ' ' CHO . 73.2 mmtt -88.21 -33.11 18.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.496 -0.32 . . . . 0.94 110.443 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.678 HG12 HD23 ' A' ' 23' ' ' LEU . 51.5 mt -57.2 -59.06 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.96 -0.563 . . . . 0.37 110.757 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.08 -36.43 81.64 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.915 -0.584 . . . . 1.73 111.275 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.458 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 5.0 tpt -63.72 -38.23 90.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.553 -0.749 . . . . 0.97 110.716 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.5 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -110.43 35.08 5.03 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.106 -0.569 . . . . 0.51 113.057 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -91.33 108.25 19.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.974 0.387 . . . . 2.27 111.887 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.48 26.69 15.68 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.078 -0.964 . . . . 1.78 112.008 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.6 m -79.19 142.41 36.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.499 -0.556 . . . . 1.16 109.499 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -71.3 89.56 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.455 0.645 . . . . 2.49 111.844 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.3 mm -84.39 124.01 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.751 -0.659 . . . . 0.66 110.217 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.23 136.22 27.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.312 -0.625 . . . . 0.37 109.312 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.578 HG23 ' OE1' ' A' ' 51' ' ' GLN . 32.0 m -121.04 106.04 11.2 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.077 -0.51 . . . . 0.33 110.367 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 48.2 mt-10 -95.1 115.07 26.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.981 -0.377 . . . . 1.39 109.981 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 48' ' ' THR . 58.1 t -109.53 124.89 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.685 -0.689 . . . . 0.22 111.707 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.536 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 59.3 t -115.36 130.59 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.34 -0.985 . . . . 0.95 108.34 177.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -106.99 128.81 54.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.922 0.391 . . . . 2.06 111.73 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -141.9 91.53 2.36 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.831 -0.803 . . . . 1.73 108.831 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.17 -96.08 0.87 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.906 -0.664 . . . . 0.4 111.899 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.09 11.24 7.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.264 0.554 . . . . 0.43 110.135 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 28.2 t70 -106.96 121.57 44.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.85 -0.614 . . . . 1.36 110.394 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -115.34 133.12 56.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.049 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.536 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -98.45 141.49 31.24 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.237 -0.438 . . . . 0.56 111.119 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.624 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.7 OUTLIER -120.61 101.78 7.98 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.182 -0.673 . . . . 0.42 109.182 179.32 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 1.2 m -103.94 109.71 21.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.944 -0.571 . . . . 0.35 110.256 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.578 ' OE1' HG23 ' A' ' 38' ' ' THR . 8.0 mm100 -101.12 119.71 39.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.838 0.351 . . . . 1.62 110.799 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -108.25 122.64 47.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.396 0.617 . . . . 0.37 111.156 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.458 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 2.4 t80 -97.19 121.0 60.09 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 114.418 -1.265 . . . . 1.23 110.073 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 31.1 Cg_endo -63.11 114.3 2.4 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.092 1.862 . . . . 0.46 111.908 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.23 23.26 77.85 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.967 -0.635 . . . . 0.46 112.553 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -145.01 -170.21 13.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.627 -0.796 . . . . 0.41 112.947 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.75 145.81 42.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 3.34 111.319 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.7 t -96.78 161.01 14.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.799 -0.637 . . . . 0.39 110.288 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -145.42 113.88 6.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.748 -0.206 . . . . 0.49 110.833 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.1 m -111.43 135.8 51.47 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.848 0.356 . . . . 0.31 111.913 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -133.05 154.64 50.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 1.72 109.972 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.9 p -135.1 123.77 23.68 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.058 -0.719 . . . . 1.04 109.058 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CZ ' ' H3 ' ' A' ' 201' ' ' CHO . 55.5 p90 -132.27 137.9 47.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.484 0.659 . . . . 0.88 112.272 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 59.4 m -106.94 130.48 54.59 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.292 -0.867 . . . . 0.25 109.547 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.52 127.57 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 120.919 0.39 . . . . 0.24 111.192 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.0 t70 70.8 25.31 3.98 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.044 0.938 . . . . 1.1 110.419 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 22.7 tptt -137.35 143.95 42.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.64 -0.709 . . . . 1.59 110.485 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -75.23 128.08 34.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.287 -0.634 . . . . 2.55 109.287 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -118.34 158.18 25.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.346 -0.388 . . . . 0.31 111.754 -178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.26 117.45 30.82 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 107.502 -1.296 . . . . 1.95 107.502 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.485 ' SD ' ' C19' ' A' ' 201' ' ' CHO . 7.1 mtt -120.27 167.51 12.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.57 0.7 . . . . 0.26 111.928 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.661 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 44.6 tt0 -157.01 140.3 15.62 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.487 -1.233 . . . . 1.47 109.037 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.819 HG22 H162 ' A' ' 201' ' ' CHO . 18.9 p -96.12 174.09 7.08 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.949 -0.389 . . . . 0.36 109.949 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.595 ' C ' H161 ' A' ' 200' ' ' CHO . 34.3 mtt -78.3 -4.32 47.37 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.042 -0.725 . . . . 1.05 109.042 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.463 ' N ' H161 ' A' ' 200' ' ' CHO . . . -86.98 -2.79 83.59 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.857 -0.897 . . . . 0.48 110.857 179.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.16 26.47 30.95 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.356 -0.449 . . . . 0.48 112.045 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.661 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 11.6 mtp180 -100.64 121.42 41.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.615 0.245 . . . . 0.85 111.448 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 128.81 51.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.926 -0.768 . . . . 1.76 108.926 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.735 ' HZ ' H181 ' A' ' 201' ' ' CHO . 40.4 p90 -160.18 177.36 10.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 1.17 111.45 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.65 141.45 48.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.481 . . . . 2.55 109.716 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.15 162.77 40.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.249 -0.432 . . . . 0.24 111.055 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.36 132.53 51.43 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.137 -0.483 . . . . 0.33 110.297 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.97 143.14 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.229 -0.441 . . . . 0.19 110.457 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -130.56 176.79 7.87 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.835 -0.432 . . . . 1.14 109.835 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.441 ' HE2' HG12 ' A' ' 90' ' ' ILE . 1.3 mtt -131.2 118.11 19.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.611 0.243 . . . . 0.41 110.545 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.527 ' HG3' HG11 ' A' ' 91' ' ' VAL . 1.5 mt-10 -119.64 112.1 18.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.506 -0.315 . . . . 2.67 110.834 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.48 31.91 77.78 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.038 -0.601 . . . . 0.46 112.649 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.4 28.16 62.25 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.749 -0.739 . . . . 0.36 111.812 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -128.72 128.63 44.42 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.87 -0.789 . . . . 1.76 108.87 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.441 HG12 ' HE2' ' A' ' 85' ' ' MET . 1.5 mt -80.45 110.4 15.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 120.807 -0.357 . . . . 0.22 110.829 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' A' ' 86' ' ' GLU . 2.7 p -113.78 126.0 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-O 121.165 0.507 . . . . 0.25 110.868 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.75 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -102.6 142.59 33.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.75 -0.659 . . . . 0.25 110.3 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -102.12 123.11 45.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.906 0.384 . . . . 1.19 111.099 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 97' ' ' TYR . 75.0 m-85 -143.19 164.92 28.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.184 -0.916 . . . . 1.27 109.831 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -77.22 113.31 3.56 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 121.821 1.68 . . . . 0.36 111.024 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 114' ' ' SER . 66.2 t30 65.72 15.29 9.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.842 -0.617 . . . . 1.5 111.021 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.692 ' CZ ' H213 ' A' ' 201' ' ' CHO . 3.2 t80 -136.6 127.24 27.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.214 0.531 . . . . 1.31 109.884 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.488 ' O ' ' HA ' ' A' ' 112' ' ' SER . 1.2 t60 -126.75 116.28 20.68 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.544 -0.753 . . . . 1.09 109.124 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.628 ' ND1' ' H21' ' A' ' 201' ' ' CHO . 10.2 t-160 -113.13 117.77 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.184 0.303 . . . . 0.67 110.745 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 72.9 p -127.17 129.2 47.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.753 -0.462 . . . . 0.31 109.753 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.63 137.38 54.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.501 0.191 . . . . 0.26 111.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -153.63 173.95 15.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.872 0.368 . . . . 1.38 111.08 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.5 mm -111.77 111.18 35.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.113 -0.699 . . . . 0.37 109.113 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.8 m -124.57 115.55 21.01 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.049 -0.523 . . . . 1.37 110.354 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.58 25.77 74.49 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.532 -0.627 . . . . 0.96 111.532 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.04 22.31 71.72 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.54 -0.838 . . . . 0.5 111.73 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -131.86 141.41 49.39 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.381 -0.229 . . . . 1.22 110.381 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.402 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.1 tm? -83.25 113.85 20.97 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.908 -0.775 . . . . 0.82 108.908 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -119.68 112.69 38.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.605 0.717 . . . . 0.33 109.892 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -100.47 138.88 36.94 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.172 -0.922 . . . . 1.69 109.715 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.413 HG13 ' HG2' ' A' ' 120' ' ' LYS . 4.7 mp -118.0 126.38 74.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.69 -0.686 . . . . 0.37 110.241 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 73.2 m -121.53 111.15 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.601 0.563 . . . . 0.37 110.025 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.536 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -99.45 130.72 45.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.747 0.308 . . . . 0.27 111.311 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 66.5 m -145.69 111.46 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.996 -0.547 . . . . 1.43 110.052 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.2 m 59.87 30.59 20.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.829 -0.623 . . . . 0.63 110.892 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.4 -16.76 60.62 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.717 -0.754 . . . . 0.46 112.608 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.71 113.41 16.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.879 0.371 . . . . 0.53 110.302 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.536 HG22 HG23 ' A' ' 113' ' ' THR . 57.3 t -93.34 104.18 15.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.804 -0.635 . . . . 0.97 111.358 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -94.76 124.55 38.87 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.326 -0.852 . . . . 1.22 109.056 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.413 ' HG2' HG13 ' A' ' 111' ' ' ILE . 33.4 mtpt -125.03 140.67 52.7 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 112.025 0.38 . . . . 1.17 112.025 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.483 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 24.4 mtm180 -128.99 128.53 43.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.277 -0.419 . . . . 2.48 110.225 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 8.2 m -102.81 118.21 36.33 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.777 -0.823 . . . . 0.43 108.777 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 m -124.71 135.5 53.07 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.991 -0.374 . . . . 0.38 109.991 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.2 pttt -86.41 155.47 20.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.206 -0.452 . . . . 1.45 110.848 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.536 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -93.58 121.22 34.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.889 -0.596 . . . . 1.45 109.957 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.501 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -136.43 166.84 25.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.756 -0.461 . . . . 0.35 109.756 179.099 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.508 -0.552 . . . . 1.27 109.508 179.181 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.804 ' H7 ' ' C27' ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.819 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 111.94 0.348 . . . . 1.11 111.94 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -101.69 -20.21 15.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.653 -0.249 . . . . 1.24 111.517 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.38 150.84 48.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.5 -0.318 . . . . 0.26 111.436 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 124.35 172.11 13.55 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.74 -0.743 . . . . 0.21 112.41 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -97.74 145.74 26.06 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.822 -0.807 . . . . 1.54 108.822 178.324 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.583 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 82.1 m-85 -128.76 140.22 51.83 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.493 -0.321 . . . . 1.29 110.195 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -127.84 158.71 37.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.013 -0.54 . . . . 1.41 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -51.12 123.58 9.7 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.499 -0.773 . . . . 1.86 111.736 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 122' ' ' THR . 1.5 tp10 -123.69 -53.45 1.77 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.625 . . . . 1.46 109.908 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.452 ' HB2' ' HB ' ' A' ' 122' ' ' THR . 35.9 m -152.25 160.36 43.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.567 -0.742 . . . . 1.01 110.912 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -153.37 156.56 38.53 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.885 -0.413 . . . . 1.72 109.885 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -147.48 140.43 24.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.386 -0.37 . . . . 1.44 110.134 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 63.49 32.73 14.1 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.519 -0.764 . . . . 0.84 111.017 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -63.34 -56.39 16.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.422 -0.353 . . . . 1.39 110.944 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.38 -41.32 96.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 1.3 110.854 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.3 -45.98 89.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.62 . . . . 1.46 110.377 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.435 ' O ' HG12 ' A' ' 21' ' ' ILE . 82.3 t80 -61.77 -56.18 22.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.957 -1.019 . . . . 1.24 111.481 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -60.99 -36.97 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.26 112.161 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -74.26 -22.13 59.45 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.921 -0.312 . . . . 1.18 111.238 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -81.41 -45.06 16.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.425 -0.352 . . . . 0.88 110.831 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 17' ' ' PHE . 24.3 pt -75.21 -13.83 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.39 111.802 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.69 36.92 21.48 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.797 -0.716 . . . . 0.39 112.741 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.702 HD12 ' HD2' ' A' ' 24' ' ' PRO . 26.5 tp -71.29 135.24 84.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.16 -0.682 . . . . 0.31 109.16 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.702 ' HD2' HD12 ' A' ' 23' ' ' LEU . 27.6 Cg_endo -63.62 139.41 69.62 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.072 1.848 . . . . 0.37 111.49 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.66 -37.96 59.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.952 -0.567 . . . . 0.39 111.375 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 30' ' ' MET . 29.8 t70 -55.84 -39.57 71.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.252 -0.886 . . . . 2.03 111.482 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.654 ' HD2' H222 ' A' ' 200' ' ' CHO . 40.1 mmtt -88.93 -30.56 18.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.252 . . . . 0.94 110.561 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.576 HG12 HD23 ' A' ' 23' ' ' LEU . 53.8 mt -60.1 -57.88 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.414 0.626 . . . . 0.37 110.325 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.552 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 24.4 mm-40 -65.14 -30.5 71.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.167 -0.924 . . . . 1.73 110.953 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.416 ' HB3' H231 ' A' ' 200' ' ' CHO . 7.7 tpt -71.26 -32.26 68.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.951 -0.568 . . . . 0.97 111.299 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.424 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -103.62 14.35 53.68 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 119.907 -1.14 . . . . 0.51 114.056 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.552 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.3 ptp180 -105.1 139.03 40.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.434 0.617 . . . . 2.27 110.282 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.43 19.12 11.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.399 0.618 . . . . 1.78 110.334 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.2 m -104.31 153.52 20.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.309 -0.859 . . . . 1.16 110.296 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -91.33 92.1 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.17 0.509 . . . . 2.49 111.94 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.28 111.38 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.629 -0.878 . . . . 0.66 108.629 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.407 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 2.3 t -83.95 139.1 18.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.233 -0.439 . . . . 0.37 110.686 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' A' ' 50' ' ' THR . 33.5 m -122.43 104.89 9.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.201 -0.454 . . . . 0.33 109.875 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.8 120.22 35.69 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.165 -0.309 . . . . 1.39 110.165 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' A' ' 48' ' ' THR . 61.9 t -113.49 129.17 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 123.556 0.535 . . . . 0.22 111.404 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.443 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 47.4 t -118.22 130.14 73.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.313 -0.995 . . . . 0.95 108.313 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -94.08 112.68 24.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.959 0.409 . . . . 2.06 111.973 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -118.97 73.68 0.94 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.737 -0.838 . . . . 1.73 108.737 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.16 -99.37 0.78 Allowed Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.726 -0.95 . . . . 0.4 110.726 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.2 5.53 15.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.327 0.584 . . . . 0.43 109.49 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 33.4 t70 -104.09 111.57 24.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.287 -0.87 . . . . 1.36 110.004 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -109.15 134.64 51.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.11 -0.496 . . . . 1.0 109.983 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -100.48 120.83 40.59 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.108 -0.496 . . . . 0.56 111.68 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -101.38 102.97 13.89 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.209 -0.663 . . . . 0.42 109.209 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.61 ' O ' ' HA ' ' A' ' 38' ' ' THR . 2.3 m -105.71 114.38 28.51 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.274 -0.421 . . . . 0.35 111.186 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' A' ' 38' ' ' THR . 3.5 mp0 -100.45 118.7 37.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.056 -0.35 . . . . 1.62 110.056 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.407 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 97.9 m-70 -105.32 130.61 53.4 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.141 -0.481 . . . . 0.37 110.208 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -108.75 130.67 22.46 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.814 -0.63 . . . . 1.23 110.245 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.71 112.9 2.78 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 121.622 1.548 . . . . 0.46 111.624 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.47 27.71 72.23 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 115.903 -0.59 . . . . 0.46 113.103 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.95 -167.01 13.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.298 -0.953 . . . . 0.41 113.234 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.901 ' NH2' H221 ' A' ' 200' ' ' CHO . 0.0 OUTLIER -73.69 148.62 42.53 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.117 0.484 . . . . 3.34 111.513 -179.225 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -102.11 154.07 19.34 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.066 -0.515 . . . . 0.39 109.677 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -132.65 115.21 15.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.444 -0.344 . . . . 0.49 110.303 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.9 m -124.06 128.02 48.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.952 0.406 . . . . 0.31 111.961 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.501 ' OD1' ' H7 ' ' A' ' 201' ' ' CHO . 0.2 OUTLIER -135.92 122.99 21.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.848 -0.615 . . . . 1.72 110.04 178.145 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.9 p -97.67 132.2 43.53 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.2 -0.909 . . . . 1.04 109.138 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.473 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 52.7 p90 -133.8 138.28 45.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.535 0.683 . . . . 0.88 111.457 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.536 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 95.0 m -107.02 127.2 53.25 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.024 -0.989 . . . . 0.25 108.561 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -53.47 128.89 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.02 0.438 . . . . 0.24 111.038 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 70.32 24.81 4.63 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.117 -0.947 . . . . 1.1 110.319 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.536 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 38.6 tptt -137.84 141.52 40.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.518 -0.765 . . . . 1.59 110.311 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -70.03 135.64 49.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.73 -0.841 . . . . 2.55 108.73 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.78 143.9 51.11 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.998 0.428 . . . . 0.31 111.796 -178.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.94 116.14 19.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.162 -1.051 . . . . 1.95 108.162 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.523 ' SD ' H191 ' A' ' 201' ' ' CHO . 23.2 mtt -120.6 163.68 17.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.413 0.625 . . . . 0.26 112.173 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.625 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 10.0 tt0 -153.42 145.15 23.43 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.863 -1.162 . . . . 1.47 107.863 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.874 HG22 H162 ' A' ' 201' ' ' CHO . 20.8 p -103.2 167.63 9.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.136 0.494 . . . . 0.36 110.788 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.715 ' SD ' H122 ' A' ' 200' ' ' CHO . 54.2 mtt -64.12 -14.13 52.72 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.394 -0.821 . . . . 1.05 110.353 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.34 -9.27 67.28 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.897 -0.592 . . . . 0.48 112.204 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.35 31.23 8.08 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.065 -0.588 . . . . 0.48 113.501 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.625 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 5.7 mtp85 -91.44 122.54 34.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.567 -0.373 . . . . 0.85 110.959 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -96.43 120.83 37.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.564 -0.902 . . . . 1.76 108.564 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.785 ' HZ ' H181 ' A' ' 201' ' ' CHO . 35.6 p90 -164.02 176.21 9.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.063 0.458 . . . . 1.17 111.874 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -141.82 142.81 33.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.311 -0.859 . . . . 2.55 109.903 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.44 161.41 39.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.12 -0.491 . . . . 0.24 110.483 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 m -103.45 122.47 44.95 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.3 -0.63 . . . . 0.33 109.3 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.44 140.06 22.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.267 -0.424 . . . . 0.19 110.184 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.421 ' HG3' HG13 ' A' ' 91' ' ' VAL . 9.1 pttt -128.1 178.74 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.789 -0.448 . . . . 1.14 109.789 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.5 mtt -131.57 117.86 19.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.605 -0.27 . . . . 0.41 110.29 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -110.4 96.66 6.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.916 0.389 . . . . 2.67 110.933 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.45 43.45 92.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.251 -0.499 . . . . 0.46 112.918 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.48 23.06 68.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.36 112.786 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -124.28 122.21 37.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.491 -0.559 . . . . 1.76 109.491 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.445 HG21 ' CE1' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -77.94 108.95 11.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.745 -0.465 . . . . 0.22 109.745 179.349 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.421 HG13 ' HG3' ' A' ' 84' ' ' LYS . 4.2 p -115.7 133.67 61.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.043 -0.526 . . . . 0.25 110.982 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.615 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -117.51 141.54 48.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.805 -0.634 . . . . 0.25 109.654 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.92 122.45 44.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.321 0.581 . . . . 1.19 111.595 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.537 ' CE2' H111 ' A' ' 201' ' ' CHO . 75.8 m-85 -139.48 157.63 70.06 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.093 -0.958 . . . . 1.27 110.288 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.51 112.41 1.93 Allowed 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 121.986 1.791 . . . . 0.36 111.747 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 114' ' ' SER . 0.7 OUTLIER 61.99 12.92 5.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.634 -0.712 . . . . 1.5 111.866 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.562 ' CZ ' H213 ' A' ' 201' ' ' CHO . 7.1 t80 -130.28 126.3 36.9 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.431 -0.581 . . . . 1.31 109.431 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.501 ' O ' ' HA ' ' A' ' 112' ' ' SER . 34.6 t60 -122.99 115.18 21.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.998 -0.546 . . . . 1.09 109.599 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.727 ' ND1' H122 ' A' ' 201' ' ' CHO . 3.1 t-160 -113.01 115.76 28.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.661 0.267 . . . . 0.67 110.749 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.3 p -125.87 128.79 48.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.223 -0.444 . . . . 0.31 109.916 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.5 137.13 52.75 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 123.134 0.271 . . . . 0.26 110.455 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.59 -176.23 5.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.101 0.477 . . . . 1.38 111.096 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.479 HD13 HD22 ' A' ' 108' ' ' LEU . 23.2 mm -115.24 123.49 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.18 -0.918 . . . . 0.37 109.444 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.6 m -132.83 104.02 6.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.226 -0.443 . . . . 1.37 109.893 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.51 36.14 76.46 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.894 -0.594 . . . . 0.96 112.375 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.14 26.2 72.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.024 -0.607 . . . . 0.5 111.936 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -132.99 147.87 52.27 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.718 -0.241 . . . . 1.22 110.368 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.485 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -91.91 114.75 27.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.813 -0.81 . . . . 0.82 108.813 179.202 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -116.29 108.1 24.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.7 0.762 . . . . 0.33 109.719 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.466 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 6.6 mt-10 -96.03 119.0 33.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.163 -0.926 . . . . 1.69 109.705 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.33 129.98 50.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.816 -0.629 . . . . 0.37 109.716 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 72.9 m -128.71 111.2 12.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.076 -0.511 . . . . 0.37 110.141 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -96.59 131.46 43.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.145 -0.479 . . . . 0.27 110.48 179.041 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 43.7 p -140.63 111.68 7.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.667 -0.494 . . . . 1.43 109.667 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.4 m 59.18 26.61 15.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.89 -0.595 . . . . 0.63 111.443 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 106.63 -28.35 13.64 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.735 -0.745 . . . . 0.46 113.189 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 113' ' ' THR . 71.0 t -72.4 126.57 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.911 0.356 . . . . 0.53 111.096 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 113' ' ' THR . 61.3 t -100.1 105.4 17.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.868 -0.606 . . . . 0.97 110.756 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -91.84 127.31 37.25 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.81 -0.632 . . . . 1.22 109.41 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -121.58 130.13 53.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.955 0.407 . . . . 1.17 111.17 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.466 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -127.96 123.41 34.77 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.426 -0.583 . . . . 2.48 109.426 178.251 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 3.8 m -101.33 118.63 37.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.588 -0.733 . . . . 0.43 110.009 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 6' ' ' TYR . 1.4 m -116.85 132.05 56.8 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.823 -0.626 . . . . 0.38 110.434 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 8.1 pttm -81.0 155.52 26.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.919 -0.582 . . . . 1.45 110.24 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.509 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -98.7 123.98 43.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 1.45 110.728 -179.556 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.571 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -139.98 167.59 18.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.714 -0.847 . . . . 0.35 108.714 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.55 -0.738 . . . . 1.27 111.026 179.84 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.901 H221 ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.874 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.628 0.251 . . . . 1.11 110.739 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -86.03 -27.52 24.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.511 -0.313 . . . . 1.24 110.666 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -62.53 141.66 58.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.125 -0.489 . . . . 0.26 110.914 179.615 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.28 168.39 12.03 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 120.571 -0.823 . . . . 0.21 111.714 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.6 142.41 30.22 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.836 -0.801 . . . . 1.54 108.836 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 83.3 m-85 -128.63 140.7 51.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.557 -0.292 . . . . 1.29 110.756 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -124.49 158.07 33.75 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.249 -0.432 . . . . 1.41 110.68 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.91 135.68 23.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 1.86 111.388 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -137.37 -55.45 0.7 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.568 -0.742 . . . . 1.46 109.837 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.5 m -152.39 144.28 23.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.15 -0.477 . . . . 1.01 110.841 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.8 151.43 45.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 1.72 110.1 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' OE2' ' HD2' ' A' ' 120' ' ' LYS . 4.1 tt0 -135.33 147.5 49.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.478 -0.328 . . . . 1.44 110.609 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 58.48 45.04 17.08 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.573 -0.74 . . . . 0.84 110.923 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.702 ' OH ' ' HA ' ' A' ' 32' ' ' ARG . 1.9 t80 -64.48 -68.82 0.32 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.497 -0.774 . . . . 1.39 111.996 -178.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.463 ' HA ' HG22 ' A' ' 18' ' ' VAL . 13.0 m-20 -64.81 -35.57 81.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.338 -0.392 . . . . 1.3 111.251 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -60.4 -42.73 96.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.271 0.558 . . . . 1.46 110.768 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -67.68 -53.39 28.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.676 -0.693 . . . . 1.24 111.112 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.5 m -63.13 -35.22 70.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.022 -0.535 . . . . 0.26 111.803 -178.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -71.33 -28.72 64.29 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.821 0.344 . . . . 1.18 110.48 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -75.1 -46.62 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.88 111.022 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.4 pt -74.19 -9.27 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.39 111.576 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.02 32.55 48.76 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.884 -0.674 . . . . 0.39 112.645 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.693 HD23 HG12 ' A' ' 28' ' ' ILE . 20.1 tp -68.08 133.14 91.79 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.441 -0.577 . . . . 0.31 109.441 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' A' ' 23' ' ' LEU . 19.8 Cg_endo -61.69 136.61 63.49 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.125 1.883 . . . . 0.37 111.457 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.38 67.8 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.026 -0.534 . . . . 0.39 110.983 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.12 -42.98 86.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.522 -0.763 . . . . 2.03 110.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HE3' H222 ' A' ' 200' ' ' CHO . 23.7 mmmt -86.87 -23.16 25.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.432 -0.349 . . . . 0.94 110.453 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.693 HG12 HD23 ' A' ' 23' ' ' LEU . 21.7 mt -62.37 -57.3 12.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.196 0 CA-C-O 120.907 0.384 . . . . 0.37 109.986 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.25 -28.47 68.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 1.73 110.209 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.9 tpt -68.46 -35.55 77.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.662 -0.699 . . . . 0.97 110.153 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.7 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -114.91 43.53 1.67 Allowed Glycine 0 N--CA 1.44 -1.092 0 C-N-CA 120.549 -0.834 . . . . 0.51 112.299 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.702 ' HA ' ' OH ' ' A' ' 14' ' ' TYR . 7.4 ptm180 -124.31 134.1 53.28 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.773 0.321 . . . . 2.27 110.335 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 63.67 27.52 14.83 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.371 -0.831 . . . . 1.78 110.408 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.4 m -97.53 140.03 32.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.116 -0.493 . . . . 1.16 110.885 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HG2' ' H ' ' A' ' 35' ' ' LYS . 22.4 pttt -72.77 85.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 2.49 110.997 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.3 mm -85.37 123.75 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.6 . . . . 0.66 110.019 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 t -100.78 128.43 52.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.272 -0.422 . . . . 0.37 110.077 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.7 m -110.03 105.79 15.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.156 -0.474 . . . . 0.33 109.857 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -100.64 114.81 28.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.778 0.323 . . . . 1.39 110.237 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' THR . 59.5 t -109.31 135.14 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 0.22 112.352 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -123.01 132.51 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.96 -0.756 . . . . 0.95 108.96 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HB2' ' OG1' ' A' ' 3' ' ' THR . 51.4 tt0 -91.43 115.27 27.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.028 0.442 . . . . 2.06 111.721 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -126.61 76.43 1.63 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.831 -0.622 . . . . 1.73 109.366 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.09 -102.76 1.28 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 110.649 -0.98 . . . . 0.4 110.649 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.67 6.46 12.42 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.217 -0.66 . . . . 0.43 109.217 177.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -102.43 110.36 22.28 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.121 -0.945 . . . . 1.36 109.057 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -106.49 130.86 54.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -95.23 129.1 42.48 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.048 -0.524 . . . . 0.56 111.713 -179.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.673 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -110.49 103.09 11.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.202 -0.666 . . . . 0.42 109.202 179.115 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.618 ' O ' ' HA ' ' A' ' 38' ' ' THR . 4.7 m -101.65 121.74 42.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.904 -0.589 . . . . 0.35 110.746 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -107.46 117.69 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.641 -0.503 . . . . 1.62 109.641 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -105.1 126.29 51.92 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.387 0.613 . . . . 0.37 111.307 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.466 ' CZ ' H211 ' A' ' 200' ' ' CHO . 2.3 t80 -106.06 122.31 42.74 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 114.745 -1.116 . . . . 1.23 109.79 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 29.5 Cg_endo -64.79 114.05 2.6 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.136 1.891 . . . . 0.46 112.175 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.58 28.82 72.94 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.861 -0.685 . . . . 0.46 112.526 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.97 -166.67 11.76 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.369 -0.919 . . . . 0.41 112.374 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.47 140.49 38.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 3.34 110.449 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -95.23 158.65 15.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.203 -0.453 . . . . 0.39 110.663 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.1 126.28 24.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.86 -0.609 . . . . 0.49 109.555 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 m -136.7 121.2 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.133 -0.354 . . . . 0.31 111.257 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.625 ' ND2' ' HA ' ' A' ' 71' ' ' MET . 18.6 m120 -129.77 143.84 51.01 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.118 0.485 . . . . 1.72 110.96 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.7 p -115.81 128.7 56.03 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.383 -0.826 . . . . 1.04 109.297 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.445 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 45.9 p90 -131.32 140.11 49.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.101 0.477 . . . . 0.88 111.172 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 34.2 m -107.32 130.93 54.71 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.743 -0.662 . . . . 0.25 109.378 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.48 HG23 ' HA ' ' A' ' 84' ' ' LYS . 51.8 mm -54.1 125.46 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 116.36 -0.382 . . . . 0.24 111.29 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.17 29.36 3.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.359 1.064 . . . . 1.1 110.583 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 5.5 tppt? -138.15 151.95 48.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.752 -0.658 . . . . 1.59 111.231 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 59.2 mm-40 -72.57 130.84 41.53 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.62 -0.882 . . . . 2.55 108.62 177.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -129.16 135.63 49.11 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.412 -0.515 . . . . 0.31 112.039 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.5 117.23 15.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.348 -0.842 . . . . 1.95 109.152 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.625 ' HA ' ' ND2' ' A' ' 61' ' ' ASN . 31.0 mtt -119.65 165.99 13.76 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.597 0.962 . . . . 0.26 113.597 -178.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 28.6 tt0 -155.18 142.74 19.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.138 -0.937 . . . . 1.47 109.115 178.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.948 HG22 H162 ' A' ' 201' ' ' CHO . 43.3 p -98.83 173.16 7.0 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.787 -0.449 . . . . 0.36 109.787 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.814 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 28.4 mtt -76.5 -12.53 60.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.199 -0.455 . . . . 1.05 110.287 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' N ' H161 ' A' ' 200' ' ' CHO . . . -84.09 -8.04 84.45 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.797 -0.716 . . . . 0.48 111.385 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.75 33.0 6.9 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.963 -0.637 . . . . 0.48 112.513 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.0 mtp180 -97.38 125.11 41.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.779 -0.368 . . . . 0.85 110.491 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.43 122.69 44.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.873 -0.788 . . . . 1.76 108.873 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.775 ' HZ ' H181 ' A' ' 201' ' ' CHO . 41.9 p90 -163.78 -179.88 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.616 -0.72 . . . . 1.17 109.785 -177.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.73 154.49 40.61 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.873 -0.788 . . . . 2.55 108.873 176.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.94 164.33 39.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.173 0.511 . . . . 0.24 112.067 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.3 137.2 32.84 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.629 -0.714 . . . . 0.33 110.264 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.0 144.37 32.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.457 -0.571 . . . . 0.19 109.457 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.605 ' HG2' HG13 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -140.76 172.4 12.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.905 0.32 . . . . 1.14 110.915 179.431 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 mtt -120.57 122.71 41.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.642 -0.253 . . . . 0.41 110.627 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -120.36 96.8 5.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.895 0.379 . . . . 2.67 110.969 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.78 37.27 66.37 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 121.16 -0.543 . . . . 0.46 113.162 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.04 28.27 46.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.36 111.946 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -133.99 121.09 21.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.798 -0.445 . . . . 1.76 109.798 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.1 mt -79.51 110.64 15.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 110.003 -0.369 . . . . 0.22 110.003 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.605 HG13 ' HG2' ' A' ' 84' ' ' LYS . 3.7 p -114.1 132.55 62.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.228 0.537 . . . . 0.25 110.805 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.654 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -108.45 136.04 48.74 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.324 -0.853 . . . . 0.25 109.93 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -93.72 122.96 36.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.035 0.445 . . . . 1.19 111.741 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 97' ' ' TYR . 76.7 m-85 -143.88 153.12 57.04 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 1.27 110.572 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.15 115.34 4.11 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.194 1.929 . . . . 0.36 111.367 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 114' ' ' SER . 64.4 t30 69.39 16.17 8.32 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.385 0.612 . . . . 1.5 110.271 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.584 ' CZ ' H213 ' A' ' 201' ' ' CHO . 4.4 t80 -144.73 126.52 15.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 1.31 109.84 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.546 ' O ' ' HA ' ' A' ' 112' ' ' SER . 20.3 t60 -123.86 117.18 24.26 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.368 -0.605 . . . . 1.09 109.368 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.682 ' ND1' H122 ' A' ' 201' ' ' CHO . 1.8 t60 -116.24 118.25 32.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.759 -0.201 . . . . 0.67 110.732 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.9 p -127.41 129.1 46.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.744 0.307 . . . . 0.31 111.113 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.75 131.58 56.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.44 -0.345 . . . . 0.26 110.109 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.24 175.36 10.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.042 0.448 . . . . 1.38 110.907 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.9 mm -124.21 111.6 29.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.506 -0.77 . . . . 0.37 109.574 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 m -132.31 106.7 8.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.213 -0.448 . . . . 1.37 110.394 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.12 27.82 29.94 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.949 -0.569 . . . . 0.96 111.837 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.92 30.6 72.33 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.817 -0.706 . . . . 0.5 111.445 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -138.31 149.86 46.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.054 0.454 . . . . 1.22 110.364 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.429 HD11 ' HG3' ' A' ' 110' ' ' GLU . 2.9 tm? -93.72 113.47 25.55 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.458 -0.792 . . . . 0.82 109.04 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -117.19 109.46 27.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.524 0.678 . . . . 0.33 109.72 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 108' ' ' LEU . 30.5 mt-10 -96.14 131.35 42.68 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.412 -0.813 . . . . 1.69 110.195 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.479 HG23 HG13 ' A' ' 118' ' ' VAL . 4.2 mp -112.02 124.03 68.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.002 -0.545 . . . . 0.37 109.706 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 19.5 m -122.12 109.9 15.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.933 -0.576 . . . . 0.37 109.735 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -99.52 134.17 42.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.31 -0.405 . . . . 0.27 111.107 -179.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 56.5 m -144.32 107.27 4.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.173 -0.467 . . . . 1.43 109.986 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.1 m 60.41 33.14 20.73 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.698 -0.683 . . . . 0.63 111.576 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.65 -36.74 4.18 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.501 -0.857 . . . . 0.46 113.278 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 113' ' ' THR . 56.2 t -68.01 123.3 21.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.863 0.363 . . . . 0.53 111.144 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.561 HG22 HG23 ' A' ' 113' ' ' THR . 99.8 t -100.76 107.93 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.89 -0.595 . . . . 0.97 111.026 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -92.22 112.85 24.95 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.069 -0.514 . . . . 1.22 109.758 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.48 ' HD2' ' OE2' ' A' ' 12' ' ' GLU . 22.3 mttt -107.64 131.29 54.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.566 -0.288 . . . . 1.17 111.155 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -131.41 118.84 20.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.569 0.7 . . . . 2.48 109.587 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.2 m -102.32 123.27 45.82 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.577 -0.738 . . . . 0.43 110.125 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.8 m -121.62 136.64 54.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.243 -0.435 . . . . 0.38 110.059 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 14.0 pttm -80.18 156.9 26.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.354 -0.384 . . . . 1.45 110.24 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 126.8 41.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.461 . . . . 1.45 111.213 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.36 166.52 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.438 -0.801 . . . . 0.35 109.507 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.576 -0.726 . . . . 1.27 109.851 179.056 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.814 ' H17' ' HB3' ' A' ' 74' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.948 H162 HG22 ' A' ' 73' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.888 0.375 . . . . 1.11 110.763 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -98.56 -23.68 15.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.511 -0.313 . . . . 1.24 111.026 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.56 138.17 58.25 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.059 0.392 . . . . 0.26 112.059 -179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 170.02 11.75 Favored Glycine 0 N--CA 1.44 -1.061 0 C-N-CA 120.737 -0.744 . . . . 0.21 112.413 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 141.87 28.1 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.58 -0.896 . . . . 1.54 108.58 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 97.2 m-85 -127.05 142.53 51.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.504 -0.316 . . . . 1.29 110.34 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' HG2' HG22 ' A' ' 37' ' ' VAL . 32.6 mt-10 -129.69 148.31 51.56 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.973 -0.291 . . . . 1.41 110.348 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.402 ' HE1' ' HB2' ' A' ' 11' ' ' ASP . 22.0 t80 -45.65 114.33 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.292 0.995 . . . . 1.86 112.682 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -109.85 -56.16 2.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.461 -0.791 . . . . 1.46 110.341 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 m -146.37 166.18 27.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.51 -0.314 . . . . 1.01 110.66 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.557 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 8.6 t70 -151.57 156.19 39.97 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.0 -0.37 . . . . 1.72 110.0 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 27.7 tt0 -151.85 136.77 17.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 1.44 111.112 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.07 36.35 9.86 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.219 -0.9 . . . . 0.84 112.098 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.557 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 38.4 t80 -63.52 -62.81 1.43 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.313 0.486 . . . . 1.39 112.313 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.9 m-20 -58.63 -38.46 78.11 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.113 0.412 . . . . 1.3 112.113 -178.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.76 -39.74 89.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.325 0.583 . . . . 1.46 109.642 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.456 ' HE2' ' H5 ' ' A' ' 200' ' ' CHO . 59.6 t80 -68.26 -55.58 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.059 -0.973 . . . . 1.24 111.155 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 15' ' ' ASP . 31.5 m -60.86 -35.4 64.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.086 -0.507 . . . . 0.26 112.126 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -71.09 -26.93 63.26 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 120.913 -0.315 . . . . 1.18 110.949 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -81.6 -44.4 17.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.841 0.353 . . . . 0.88 111.625 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.425 HG12 ' HA ' ' A' ' 18' ' ' VAL . 25.6 pt -70.75 -17.07 20.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.271 -0.422 . . . . 0.39 111.685 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.43 39.18 9.17 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.768 -0.729 . . . . 0.39 112.354 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.646 HD11 H152 ' A' ' 200' ' ' CHO . 16.0 tp -78.36 134.41 62.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.16 -0.311 . . . . 0.31 110.16 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' HD12 ' A' ' 23' ' ' LEU . 36.2 Cg_endo -67.78 145.59 69.55 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.399 2.066 . . . . 0.37 111.795 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.73 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 0.39 111.521 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 30' ' ' MET . 13.3 m-20 -59.18 -37.17 76.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.552 -0.749 . . . . 2.03 111.705 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HB3' H181 ' A' ' 200' ' ' CHO . 75.4 mmtt -88.43 -34.26 17.58 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 121.036 -0.266 . . . . 0.94 110.642 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.556 HG12 HD23 ' A' ' 23' ' ' LEU . 64.3 mt -55.83 -56.51 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.37 110.904 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 11.5 mm-40 -67.39 -31.61 71.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.143 0.497 . . . . 1.73 111.116 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.471 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 9.4 tpt -65.76 -38.77 89.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.57 -0.741 . . . . 0.97 110.178 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.447 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -109.85 37.91 3.56 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.766 -0.73 . . . . 0.51 114.253 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.537 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.5 ptp180 -119.9 135.46 54.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.87 0.835 . . . . 2.27 111.011 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 59.46 22.51 11.03 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.4 -0.818 . . . . 1.78 111.95 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' SG ' ' HE1' ' A' ' 53' ' ' PHE . 1.1 p -94.16 151.49 19.44 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.085 -0.339 . . . . 1.16 110.085 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' HG3' ' HG3' ' A' ' 54' ' ' PRO . 2.5 ptpt -80.68 88.97 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.721 0.772 . . . . 2.49 111.782 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mm -85.35 123.74 39.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.728 -0.669 . . . . 0.66 109.741 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 52' ' ' HIS . 5.4 t -98.33 125.46 51.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.262 -0.427 . . . . 0.37 110.166 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.701 ' HA ' ' O ' ' A' ' 50' ' ' THR . 25.0 m -107.6 106.0 16.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.759 -0.655 . . . . 0.33 110.289 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.453 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 58.9 mt-10 -94.18 117.66 30.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.048 -0.352 . . . . 1.39 110.048 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 48' ' ' THR . 59.7 t -111.11 124.47 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 123.467 0.48 . . . . 0.22 111.376 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.49 126.75 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 108.602 -0.888 . . . . 0.95 108.602 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -91.91 120.87 32.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.042 0.449 . . . . 2.06 111.853 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -128.16 75.34 1.61 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.715 -0.675 . . . . 1.73 109.235 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.07 -95.81 0.76 Allowed Glycine 0 CA--C 1.507 -0.42 0 N-CA-C 111.339 -0.704 . . . . 0.4 111.339 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.16 9.23 10.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.229 -0.656 . . . . 0.43 109.229 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.485 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 35.5 t70 -108.13 108.97 20.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.07 -0.968 . . . . 1.36 109.339 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -104.69 137.7 42.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 73.2 p -99.08 139.08 35.25 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 120.937 0.399 . . . . 0.56 110.531 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.7 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.8 OUTLIER -118.4 102.45 8.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.956 -0.565 . . . . 0.42 109.503 179.214 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.701 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.3 m -101.92 124.36 47.41 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.089 -0.505 . . . . 0.35 110.232 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.507 ' HB3' ' HE3' ' A' ' 74' ' ' MET . 18.3 mm-40 -110.14 116.8 32.19 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.384 -0.599 . . . . 1.62 109.384 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.431 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 92.9 m-70 -105.66 125.9 51.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.106 0.479 . . . . 0.37 111.304 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.471 ' HZ ' ' O ' ' A' ' 30' ' ' MET . 2.2 t80 -102.15 122.64 46.18 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-N 115.163 -0.926 . . . . 1.23 109.344 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 39.7 Cg_endo -66.03 114.4 2.98 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.257 1.971 . . . . 0.46 111.147 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.9 26.99 71.42 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.588 -0.815 . . . . 0.46 112.091 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.21 -165.15 11.59 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.497 -0.859 . . . . 0.41 113.064 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.466 HH12 HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -78.88 146.74 33.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.988 0.423 . . . . 3.34 111.187 -179.664 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -98.47 156.79 16.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.237 -0.438 . . . . 0.39 110.691 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.466 HG23 HH12 ' A' ' 57' ' ' ARG . 1.2 m -136.51 114.04 10.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.262 -0.427 . . . . 0.49 110.454 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.404 HG23 HG23 ' A' ' 50' ' ' THR . 3.7 m -121.83 127.06 50.12 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.874 0.324 . . . . 0.31 111.874 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.654 ' ND2' ' HA ' ' A' ' 71' ' ' MET . 23.5 m120 -138.37 130.51 28.58 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.107 0.48 . . . . 1.72 110.578 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.3 p -105.2 136.65 44.32 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.696 -0.684 . . . . 1.04 109.38 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.469 ' CE2' HG21 ' A' ' 90' ' ' ILE . 53.4 p90 -136.2 138.07 41.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.434 0.635 . . . . 0.88 111.832 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.547 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 80.7 m -105.29 132.8 51.03 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.614 -0.721 . . . . 0.25 109.638 178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.22 126.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.491 -0.322 . . . . 0.24 110.687 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 t70 75.65 25.08 1.23 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.887 0.851 . . . . 1.1 109.139 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.547 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 9.7 tppt? -137.68 149.45 46.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.997 -1.001 . . . . 1.59 110.776 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -83.51 126.81 33.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.851 -0.796 . . . . 2.55 108.851 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -123.47 140.76 52.68 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.457 0.54 . . . . 0.31 112.457 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.7 115.37 13.04 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.304 -0.628 . . . . 1.95 109.304 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.654 ' HA ' ' ND2' ' A' ' 61' ' ' ASN . 8.0 mtt -115.44 161.38 18.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.951 0.722 . . . . 0.26 112.951 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.531 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 30.5 tt0 -148.74 143.48 26.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.469 -0.787 . . . . 1.47 109.764 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.888 HG22 H162 ' A' ' 201' ' ' CHO . 25.4 p -101.05 168.41 9.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.492 -0.558 . . . . 0.36 109.492 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.708 ' HB3' ' H17' ' A' ' 200' ' ' CHO . 40.1 mtt -75.12 -1.1 21.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.851 0.358 . . . . 1.05 110.099 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.39 -1.36 64.43 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.325 -0.71 . . . . 0.48 111.325 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.99 25.48 26.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.014 -0.612 . . . . 0.48 112.337 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.531 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 12.3 mtp180 -93.24 120.17 33.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.965 0.412 . . . . 0.85 110.948 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -100.26 123.19 44.19 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.614 -0.884 . . . . 1.76 108.614 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.795 ' HZ ' H181 ' A' ' 201' ' ' CHO . 42.6 p90 -163.39 -177.15 5.13 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 116.169 -0.469 . . . . 1.17 109.77 -177.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.6 151.25 29.52 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.735 -0.839 . . . . 2.55 108.735 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.68 164.92 34.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.854 0.359 . . . . 0.24 111.727 -177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.35 133.42 39.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.828 -0.624 . . . . 0.33 110.095 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -119.3 137.16 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.089 -0.505 . . . . 0.19 110.601 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.531 ' HG2' HG13 ' A' ' 91' ' ' VAL . 2.4 pttp -129.72 168.66 16.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.654 0.264 . . . . 1.14 110.408 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -121.83 128.54 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.765 0.316 . . . . 0.41 110.41 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -141.02 119.17 12.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.373 -0.376 . . . . 2.67 110.408 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.23 31.63 71.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.019 -0.61 . . . . 0.46 112.06 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.12 31.41 69.3 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.816 -0.707 . . . . 0.36 111.341 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -133.1 129.62 38.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.028 -0.36 . . . . 1.76 110.028 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.469 HG21 ' CE2' ' A' ' 63' ' ' PHE . 1.8 mt -84.11 111.35 19.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.074 -0.512 . . . . 0.22 110.026 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.531 HG13 ' HG2' ' A' ' 84' ' ' LYS . 6.3 p -114.07 133.26 60.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.223 0.535 . . . . 0.25 110.223 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.582 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -107.43 136.86 46.5 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.038 -0.528 . . . . 0.25 111.082 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -86.67 119.53 27.01 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.3 -0.409 . . . . 1.19 111.722 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 70.6 m-85 -146.31 151.63 44.46 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.902 -0.59 . . . . 1.27 110.878 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.54 115.53 4.33 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.727 2.285 . . . . 0.36 111.557 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 114' ' ' SER . 7.0 t-20 64.57 17.77 11.04 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.31 0.576 . . . . 1.5 110.56 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.671 ' CZ ' H213 ' A' ' 201' ' ' CHO . 4.0 t80 -140.06 130.1 24.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.403 0.62 . . . . 1.31 110.191 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -129.56 111.66 12.95 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.824 -0.626 . . . . 1.09 110.095 179.285 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.468 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 5.6 t60 -112.56 115.55 28.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.022 0.439 . . . . 0.67 110.579 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.4 HG22 ' HB ' ' A' ' 91' ' ' VAL . 22.8 p -123.05 129.41 51.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.944 -0.571 . . . . 0.31 110.922 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.1 134.95 54.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.31 -0.405 . . . . 0.26 110.161 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.86 176.67 11.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.668 0.271 . . . . 1.38 111.228 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.3 mm -115.02 111.79 37.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.787 -0.642 . . . . 0.37 109.958 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.0 m -123.74 105.55 9.77 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.006 0.431 . . . . 1.37 110.427 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.28 36.23 50.9 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.96 111.903 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.71 26.33 74.55 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 121.167 -0.54 . . . . 0.5 112.403 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -135.08 148.22 49.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.827 0.346 . . . . 1.22 111.272 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -88.92 116.52 27.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.01 -0.737 . . . . 0.82 109.01 179.23 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.6 p -120.6 111.39 31.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 N-CA-C 109.724 -0.473 . . . . 0.33 109.724 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.409 ' HG3' HD12 ' A' ' 108' ' ' LEU . 22.9 mt-10 -99.08 134.8 41.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.698 -0.683 . . . . 1.69 110.385 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 4.2 mp -115.66 130.51 70.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.656 -0.702 . . . . 0.37 109.632 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.6 m -125.34 108.78 12.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.26 -0.645 . . . . 0.37 109.26 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -98.93 128.41 45.09 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.405 -0.362 . . . . 0.27 111.635 -179.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 53.0 p -137.41 108.01 6.57 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.428 -0.582 . . . . 1.43 109.428 178.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.6 m 57.9 41.44 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.129 0.49 . . . . 0.63 111.116 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.74 -32.43 5.83 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.63 -0.795 . . . . 0.46 112.819 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 113' ' ' THR . 98.0 t -65.27 113.4 2.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.725 0.297 . . . . 0.53 110.419 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 113' ' ' THR . 57.3 t -95.7 109.45 22.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.111 -0.495 . . . . 0.97 111.038 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 111' ' ' ILE . 69.7 t80 -94.02 134.64 36.21 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.747 -0.661 . . . . 1.22 109.821 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.412 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 72.5 mttt -130.27 138.38 50.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.775 0.321 . . . . 1.17 111.555 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -141.21 122.2 14.57 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.171 -0.677 . . . . 2.48 109.171 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.9 m -100.22 131.15 46.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.566 -0.743 . . . . 0.43 110.636 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.9 m -126.78 132.87 50.95 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.008 -0.542 . . . . 0.38 110.186 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 53.1 pttt -80.01 155.31 27.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.196 -0.456 . . . . 1.45 109.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.533 ' C ' ' HD2' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -99.78 122.92 43.47 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.019 -0.363 . . . . 1.45 110.019 -179.413 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.94 164.69 34.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.905 -0.589 . . . . 0.35 109.61 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.968 -0.539 . . . . 1.27 110.309 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 1.059 ' C7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 1.059 H262 ' C7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.62 0.247 . . . . 1.11 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -83.52 -25.13 31.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.462 -0.335 . . . . 1.24 110.258 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -61.72 139.52 58.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 0.26 111.505 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.05 172.06 12.76 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.448 -0.882 . . . . 0.21 112.169 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -97.51 142.14 29.71 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.818 -1.178 . . . . 1.54 107.818 178.028 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.517 ' CE1' ' HG2' ' A' ' 125' ' ' LYS . 99.6 m-85 -126.28 139.2 53.5 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.753 -0.379 . . . . 1.29 110.959 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 62.6 mt-10 -122.85 142.92 50.24 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.355 -0.839 . . . . 1.41 108.951 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.73 129.96 17.16 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.732 0.645 . . . . 1.86 111.04 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -123.52 -55.24 1.74 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.958 -0.564 . . . . 1.46 110.537 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.5 m -148.69 164.97 32.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.258 -0.428 . . . . 1.01 110.708 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.87 159.3 44.64 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.475 -0.565 . . . . 1.72 109.475 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 4.9 tt0 -145.87 138.72 25.81 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.957 -0.565 . . . . 1.44 110.031 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 58.76 41.41 21.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.903 -1.044 . . . . 0.84 111.586 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.64 -57.8 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.031 -0.268 . . . . 1.39 111.322 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' HA ' HG22 ' A' ' 18' ' ' VAL . 6.2 m-20 -60.87 -38.31 85.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.751 0.31 . . . . 1.3 111.727 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -40.71 94.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.344 0.592 . . . . 1.46 110.285 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' O ' HG12 ' A' ' 21' ' ' ILE . 73.2 t80 -64.54 -51.35 63.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.256 -0.884 . . . . 1.24 110.654 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 15' ' ' ASP . 27.7 m -64.42 -37.83 81.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.648 . . . . 0.26 111.789 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 2.0 mmpt? -67.03 -32.38 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.676 -0.41 . . . . 1.18 110.295 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -73.43 -53.81 9.78 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.928 -0.578 . . . . 0.88 111.488 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 17' ' ' PHE . 19.7 pt -68.69 -3.81 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.861 -0.609 . . . . 0.39 111.235 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.77 39.1 93.5 Favored Glycine 0 C--O 1.237 0.304 0 C-N-CA 121.269 -0.491 . . . . 0.39 113.267 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD23 HG12 ' A' ' 28' ' ' ILE . 16.8 tp -73.42 134.83 79.33 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.134 -0.321 . . . . 0.31 110.134 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.469 ' HD2' HD12 ' A' ' 23' ' ' LEU . 30.5 Cg_endo -66.68 141.89 61.87 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.234 1.956 . . . . 0.37 111.41 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.25 -37.58 62.22 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.116 -0.493 . . . . 0.39 111.68 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' MET . 4.6 t70 -54.7 -40.29 69.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.447 -0.797 . . . . 2.03 111.056 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HD2' H222 ' A' ' 200' ' ' CHO . 35.5 mmtt -88.56 -32.44 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.587 -0.278 . . . . 0.94 110.936 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.513 HG12 HD23 ' A' ' 23' ' ' LEU . 79.9 mt -57.28 -61.25 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.498 . . . . 0.37 111.378 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.4 -29.35 68.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.838 -0.619 . . . . 1.73 111.117 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.463 ' HG2' H231 ' A' ' 200' ' ' CHO . 11.1 tpt -67.66 -40.34 84.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.791 -0.64 . . . . 0.97 110.461 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.553 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -97.45 25.06 28.76 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.709 -0.757 . . . . 0.51 113.157 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -125.06 145.8 49.74 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 122.218 -0.578 . . . . 2.27 110.58 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 57.88 27.03 14.03 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.585 -0.734 . . . . 1.78 111.102 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -106.93 156.39 18.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.082 -0.508 . . . . 1.16 110.6 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 84.69 7.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.44 0.638 . . . . 2.49 111.464 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mm -82.12 122.69 37.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.653 -0.703 . . . . 0.66 110.118 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 2.8 t -103.94 125.06 58.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.958 -0.386 . . . . 0.37 109.958 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.768 ' HA ' ' O ' ' A' ' 50' ' ' THR . 18.7 m -115.34 110.18 19.0 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.193 -0.458 . . . . 0.33 111.189 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.31 110.63 23.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.967 0.413 . . . . 1.39 110.243 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.59 126.75 65.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.58 -0.737 . . . . 0.22 111.047 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.595 HG12 ' OG1' ' A' ' 48' ' ' THR . 7.1 p -113.92 136.99 48.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.48 -0.563 . . . . 0.95 109.48 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -85.28 112.54 20.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.281 0.563 . . . . 2.06 111.455 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -125.92 74.08 1.4 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.611 -0.722 . . . . 1.73 109.915 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.34 -102.89 1.0 Allowed Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.448 -1.061 . . . . 0.4 110.448 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.79 9.76 11.44 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.053 -0.721 . . . . 0.43 109.053 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 39.1 t70 -103.45 109.09 20.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.604 -1.18 . . . . 1.36 109.448 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.38 130.48 54.19 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.003 0.43 . . . . 1.0 110.449 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.595 ' OG1' HG12 ' A' ' 41' ' ' VAL . 77.9 p -91.48 121.0 32.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.197 -0.456 . . . . 0.56 110.803 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.568 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -100.47 100.45 11.21 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.303 -0.999 . . . . 0.42 108.303 178.571 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.768 ' O ' ' HA ' ' A' ' 38' ' ' THR . 1.8 m -106.78 117.82 35.06 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.937 -0.574 . . . . 0.35 110.596 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -112.06 119.04 37.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.968 0.414 . . . . 1.62 110.634 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -102.17 127.7 48.98 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.894 -0.594 . . . . 0.37 110.582 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.5 t80 -101.6 125.83 36.15 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.45 -0.795 . . . . 1.23 110.313 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 19.1 Cg_endo -61.7 115.38 2.75 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.742 2.295 . . . . 0.46 112.032 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.0 18.1 64.14 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.716 -0.674 . . . . 0.46 112.851 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.13 -169.66 11.95 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.643 -0.789 . . . . 0.41 112.882 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.46 142.13 46.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.952 0.406 . . . . 3.34 111.798 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 t -88.54 157.03 18.75 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.554 -0.535 . . . . 0.39 109.554 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.4 m -140.0 118.8 12.45 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.43 -0.35 . . . . 0.49 110.12 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 m -127.07 128.72 46.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.02 0.438 . . . . 0.31 111.751 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.568 ' ND2' ' HB3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -139.01 115.73 10.71 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.569 -0.741 . . . . 1.72 109.565 177.556 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.1 m -98.06 146.9 25.08 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.241 -0.89 . . . . 1.04 109.784 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.437 ' CD1' ' H5 ' ' A' ' 201' ' ' CHO . 51.5 p90 -146.61 148.85 32.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.192 0.52 . . . . 0.88 112.228 -177.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.459 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 39.9 m -113.53 129.26 56.59 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.421 -0.808 . . . . 0.25 109.588 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.436 HG23 ' HA ' ' A' ' 84' ' ' LYS . 50.5 mm -55.75 125.25 10.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.648 -0.251 . . . . 0.24 110.908 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t0 76.24 22.19 1.36 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 124.188 0.93 . . . . 1.1 110.455 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.479 ' HE3' ' O ' ' A' ' 68' ' ' GLU . 38.2 tptt -138.1 141.58 40.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.579 -0.737 . . . . 1.59 110.152 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -70.56 134.37 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.767 -0.827 . . . . 2.55 108.767 177.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -126.82 152.99 46.22 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.555 0.576 . . . . 0.31 112.555 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.26 118.33 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.235 -0.893 . . . . 1.95 109.619 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 6.6 mtt -122.82 168.73 11.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.213 0.53 . . . . 0.26 112.019 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 16.8 tt0 -155.94 142.58 18.71 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.373 -0.973 . . . . 1.47 108.373 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.659 HG23 ' HE1' ' A' ' 79' ' ' PHE . 21.9 p -97.84 170.75 8.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.912 -0.403 . . . . 0.36 109.912 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.774 ' CB ' ' H17' ' A' ' 200' ' ' CHO . 44.9 mtt -73.55 -14.39 61.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.335 -0.393 . . . . 1.05 110.075 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.411 ' N ' H161 ' A' ' 200' ' ' CHO . . . -80.02 -19.71 69.34 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.795 -0.639 . . . . 0.48 111.615 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.65 38.86 2.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.107 -0.568 . . . . 0.48 112.598 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.559 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 9.9 mtp180 -103.51 127.32 50.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.785 -0.244 . . . . 0.85 110.894 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -101.29 122.89 44.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.965 -0.754 . . . . 1.76 108.965 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.721 ' HZ ' H181 ' A' ' 201' ' ' CHO . 53.4 p90 -161.67 172.3 16.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 1.17 112.274 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -139.45 138.47 36.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.162 -0.926 . . . . 2.55 109.682 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.79 162.78 37.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.048 -0.523 . . . . 0.24 111.244 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.2 138.86 33.2 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.262 -0.427 . . . . 0.33 109.955 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.75 140.02 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 116.185 -0.461 . . . . 0.19 109.934 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HA ' HG23 ' A' ' 65' ' ' ILE . 39.3 pttt -134.68 178.47 6.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.662 -0.496 . . . . 1.14 109.662 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 mtt -128.45 135.39 49.41 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.624 0.249 . . . . 0.41 110.906 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -130.69 103.42 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.237 -0.438 . . . . 2.67 110.585 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.52 42.95 99.65 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.056 -0.592 . . . . 0.46 112.954 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.47 19.6 76.05 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.072 -0.585 . . . . 0.36 112.985 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -123.53 126.91 47.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.518 -0.549 . . . . 1.76 109.518 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 mt -81.53 114.78 23.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.506 -0.553 . . . . 0.22 109.506 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.405 HG13 ' HG3' ' A' ' 84' ' ' LYS . 5.5 p -116.06 136.13 53.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.231 0.539 . . . . 0.25 111.547 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.701 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -118.14 147.92 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.721 -0.672 . . . . 0.25 110.452 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -106.69 123.31 47.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.989 0.424 . . . . 1.19 111.326 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.44 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 68.0 m-85 -142.7 152.92 60.73 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.78 -0.645 . . . . 1.27 110.792 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.73 113.99 3.38 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.32 2.013 . . . . 0.36 111.442 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 63.08 20.24 12.16 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.954 -0.566 . . . . 1.5 110.695 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.753 ' CE1' H213 ' A' ' 201' ' ' CHO . 6.5 t80 -142.65 128.57 19.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.12 0.486 . . . . 1.31 109.936 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.55 ' O ' ' HA ' ' A' ' 112' ' ' SER . 8.3 t60 -125.84 114.5 18.65 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.408 -0.59 . . . . 1.09 109.408 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 111' ' ' ILE . 8.7 t60 -116.39 119.7 36.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.868 0.366 . . . . 0.67 111.27 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.9 p -125.94 131.34 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.31 110.015 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.32 140.86 49.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.332 -0.394 . . . . 0.26 110.374 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -160.79 171.7 18.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.919 0.39 . . . . 1.38 110.881 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.0 mm -112.17 116.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.783 -0.644 . . . . 0.37 110.219 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 p -112.45 96.48 6.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.458 -0.337 . . . . 1.37 110.753 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.5 32.99 64.23 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.939 -0.648 . . . . 0.96 112.562 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.3 12.27 70.64 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.401 -0.904 . . . . 0.5 112.763 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -122.31 139.24 54.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.858 0.361 . . . . 1.22 110.481 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.0 tm? -84.66 124.91 32.01 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.856 -0.611 . . . . 0.82 109.49 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 p -129.56 122.24 54.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 116.06 -0.518 . . . . 0.33 110.199 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.408 ' OE1' ' HD2' ' A' ' 121' ' ' ARG . 31.6 mt-10 -108.57 129.94 55.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.584 -0.735 . . . . 1.69 110.197 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 99' ' ' HIS . 5.0 mp -111.73 132.41 60.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.919 -0.582 . . . . 0.37 109.479 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.55 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.3 m -130.17 108.4 10.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.149 -0.478 . . . . 0.37 110.676 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.611 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -90.74 130.78 36.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.39 -0.368 . . . . 0.27 111.089 179.475 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.5 p -134.87 103.65 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.223 -0.444 . . . . 1.43 110.809 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.7 m 56.33 25.17 9.1 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.994 -0.548 . . . . 0.63 112.265 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 118.19 -32.5 5.24 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.649 -0.786 . . . . 0.46 112.89 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.59 119.93 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 117.048 0.424 . . . . 0.53 110.747 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.611 HG22 HG23 ' A' ' 113' ' ' THR . 72.8 t -96.39 107.15 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.988 -0.551 . . . . 0.97 110.786 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' A' ' 111' ' ' ILE . 46.1 t80 -90.79 142.83 27.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.761 -0.654 . . . . 1.22 109.893 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 1.9 mttt -137.1 142.48 42.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.799 0.333 . . . . 1.17 110.898 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.408 ' HD2' ' OE1' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -143.97 121.84 12.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.527 -0.545 . . . . 2.48 109.527 177.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 23.9 m -104.52 132.23 51.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.069 -0.514 . . . . 0.43 111.257 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.4 m -124.89 136.94 54.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.837 -0.619 . . . . 0.38 109.726 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 5.9 pttm -79.23 155.61 28.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.414 -0.357 . . . . 1.45 110.238 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.517 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -100.22 121.21 41.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 1.45 110.717 -179.781 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.72 167.59 17.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.442 -0.799 . . . . 0.35 109.06 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.19 -0.91 . . . . 1.27 109.558 178.059 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 0.852 H121 H212 ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 0.834 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.841 0.353 . . . . 1.11 110.695 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -79.7 -21.7 44.3 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.293 -0.412 . . . . 1.24 110.504 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 141.54 55.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.139 0.495 . . . . 0.26 111.906 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.22 167.99 12.34 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.147 -1.025 . . . . 0.21 111.947 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 126' ' ' ILE . 0.4 OUTLIER -94.47 144.02 25.92 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.344 -0.984 . . . . 1.54 108.344 178.281 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.578 ' HA ' ' O ' ' A' ' 124' ' ' LYS . 94.7 m-85 -126.36 138.02 53.52 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.473 -0.331 . . . . 1.29 110.309 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -126.35 146.26 50.12 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.979 -0.555 . . . . 1.41 110.055 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -45.59 130.19 8.86 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.267 0.979 . . . . 1.86 112.251 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -127.41 -46.52 1.47 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.222 -0.899 . . . . 1.46 109.484 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -156.01 166.09 34.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 1.01 110.474 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 121' ' ' ARG . 4.7 p-10 -148.47 163.45 37.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.277 -0.638 . . . . 1.72 109.277 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -152.93 135.25 15.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.148 0.499 . . . . 1.44 110.531 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 60.3 31.2 20.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.698 -1.137 . . . . 0.84 112.046 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -63.74 -56.47 15.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.831 0.348 . . . . 1.39 111.179 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.459 ' HA ' HG22 ' A' ' 18' ' ' VAL . 3.1 m-20 -61.47 -37.17 82.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.165 -0.47 . . . . 1.3 111.288 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -36.91 84.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.117 -0.492 . . . . 1.46 110.697 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.51 ' O ' HG12 ' A' ' 21' ' ' ILE . 40.8 t80 -69.35 -52.42 27.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.517 -0.765 . . . . 1.24 110.939 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 15' ' ' ASP . 34.2 m -61.04 -37.41 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.882 -0.599 . . . . 0.26 111.454 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -72.73 -23.73 60.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.864 0.364 . . . . 1.18 110.823 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -80.59 -47.91 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.88 111.078 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 17' ' ' PHE . 30.2 pt -73.34 -16.7 17.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.457 -0.338 . . . . 0.39 111.837 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.71 30.56 23.59 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.645 -0.788 . . . . 0.39 112.697 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.724 HD23 HG12 ' A' ' 28' ' ' ILE . 16.9 tp -61.82 136.08 94.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.206 -0.294 . . . . 0.31 110.206 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' A' ' 23' ' ' LEU . 33.3 Cg_endo -65.25 140.69 65.61 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.498 2.132 . . . . 0.37 111.804 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.74 -35.76 66.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.118 -0.492 . . . . 0.39 111.346 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -40.91 76.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.538 -0.755 . . . . 2.03 110.955 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HB3' H181 ' A' ' 200' ' ' CHO . 74.9 mmtt -88.95 -33.7 17.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.94 110.885 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.724 HG12 HD23 ' A' ' 23' ' ' LEU . 46.3 mt -55.52 -55.33 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 N-CA-C 109.814 -0.439 . . . . 0.37 109.814 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' OE1' ' HD2' ' A' ' 32' ' ' ARG . 5.4 mm-40 -62.6 -36.14 81.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.396 -0.82 . . . . 1.73 110.745 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.416 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 7.7 tpt -64.05 -36.38 83.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.511 -0.768 . . . . 0.97 111.201 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.95 30.37 7.46 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.615 -0.802 . . . . 0.51 113.711 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' HD2' ' OE1' ' A' ' 29' ' ' GLU . 5.2 mtt180 -90.3 105.29 17.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.491 0.646 . . . . 2.27 111.777 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.42 24.74 11.97 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.337 -0.847 . . . . 1.78 112.217 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.0 m -80.45 145.65 31.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.18 -0.464 . . . . 1.16 109.999 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 7.3 ptpt -75.83 93.28 3.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.808 0.67 . . . . 2.49 112.808 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 mm -87.24 129.81 38.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.848 -0.615 . . . . 0.66 110.087 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 51' ' ' GLN . 4.4 t -102.31 134.78 42.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.567 -0.531 . . . . 0.37 109.567 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.527 HG23 ' OE1' ' A' ' 51' ' ' GLN . 38.1 m -119.86 108.3 14.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.372 -0.376 . . . . 0.33 110.348 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' HB2' ' HB ' ' A' ' 50' ' ' THR . 27.6 mt-10 -97.49 115.78 28.45 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.124 -0.324 . . . . 1.39 110.124 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 48' ' ' THR . 54.5 t -111.72 129.28 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.888 -0.596 . . . . 0.22 112.033 -178.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.4 t -118.9 133.36 66.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.264 -1.013 . . . . 0.95 108.264 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.79 119.46 39.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.755 0.65 . . . . 2.06 112.755 -177.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -134.35 74.92 1.56 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.57 1.176 . . . . 1.73 109.394 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.58 -109.47 3.41 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 114.687 -1.142 . . . . 0.4 111.448 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.85 13.61 17.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.05 0.452 . . . . 0.43 109.889 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -108.72 111.73 23.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.481 -0.781 . . . . 1.36 109.73 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -108.81 138.01 45.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.574 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 17.2 p -101.36 139.99 36.27 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.267 -0.424 . . . . 0.56 110.651 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.494 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.6 OUTLIER -121.38 100.24 6.92 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.682 -0.859 . . . . 0.42 108.682 178.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 39' ' ' GLU . 8.3 m -103.99 108.97 20.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.943 -0.572 . . . . 0.35 110.566 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.527 ' OE1' HG23 ' A' ' 38' ' ' THR . 7.1 mm100 -99.35 119.19 37.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.944 -0.571 . . . . 1.62 111.176 -178.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.472 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 97.1 m-70 -106.86 120.95 43.39 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.939 -0.573 . . . . 0.37 110.571 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 4.0 t80 -90.01 129.94 44.26 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 114.905 -1.043 . . . . 1.23 109.712 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.586 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 14.7 Cg_endo -58.54 114.73 2.11 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.208 1.939 . . . . 0.46 111.928 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.39 27.04 67.11 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.897 -0.592 . . . . 0.46 111.806 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -136.97 -167.67 11.18 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.429 -0.891 . . . . 0.41 112.499 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.417 HH12 HG23 ' A' ' 59' ' ' THR . 0.2 OUTLIER -77.75 146.85 35.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 122.449 0.3 . . . . 3.34 111.007 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 t -98.08 160.23 14.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.678 0.275 . . . . 0.39 110.356 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.417 HG23 HH12 ' A' ' 57' ' ' ARG . 1.0 OUTLIER -140.8 111.86 7.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.483 -0.326 . . . . 0.49 110.821 -179.114 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.418 HG23 ' OG1' ' A' ' 50' ' ' THR . 3.0 m -105.75 129.95 53.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.947 0.403 . . . . 0.31 111.52 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -125.66 147.22 49.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.322 -0.621 . . . . 1.72 109.322 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.1 p -130.54 126.48 36.9 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.94 -0.763 . . . . 1.04 108.94 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.478 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 51.8 p90 -136.25 147.51 47.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.482 0.658 . . . . 0.88 112.151 -178.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.489 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 96.9 m -115.71 130.65 56.93 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.321 -0.854 . . . . 0.25 108.972 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.45 HG23 ' HA ' ' A' ' 84' ' ' LYS . 47.4 mm -55.45 127.78 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.044 0.449 . . . . 0.24 111.78 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t70 70.38 24.64 4.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.229 -0.896 . . . . 1.1 109.639 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 18.4 tptm -137.39 142.4 41.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.985 -1.007 . . . . 1.59 110.085 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.3 140.94 52.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.035 -0.728 . . . . 2.55 109.035 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.67 161.8 30.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.498 0.555 . . . . 0.31 112.498 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -96.38 114.03 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.933 -1.03 . . . . 1.95 108.369 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.59 ' SD ' H191 ' A' ' 201' ' ' CHO . 12.2 mtt -119.39 165.78 13.89 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.538 0.685 . . . . 0.26 111.849 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.712 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 24.6 tt0 -157.21 139.26 14.42 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.625 -1.17 . . . . 1.47 109.057 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.935 HG22 H162 ' A' ' 201' ' ' CHO . 18.9 p -95.8 166.1 11.97 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.854 -0.424 . . . . 0.36 109.854 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 61.5 mtm -74.2 -1.69 21.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.235 0.541 . . . . 1.05 109.886 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.728 ' CA ' H161 ' A' ' 200' ' ' CHO . . . -90.08 -12.59 61.65 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.869 -0.892 . . . . 0.48 110.869 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.95 35.89 4.39 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.115 -0.564 . . . . 0.48 112.715 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.712 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 20.1 mtp85 -111.93 117.85 33.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.692 0.246 . . . . 0.85 110.985 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.18 122.99 45.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.25 -1.018 . . . . 1.76 108.25 178.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.859 ' HZ ' H181 ' A' ' 201' ' ' CHO . 36.7 p90 -150.72 176.12 11.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.936 0.398 . . . . 1.17 111.675 -177.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.23 133.73 47.67 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.726 -0.67 . . . . 2.55 109.236 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.73 161.45 41.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.25 -0.432 . . . . 0.24 110.381 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.55 140.63 30.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.664 0.269 . . . . 0.33 110.443 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.72 137.57 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.638 -0.505 . . . . 0.19 109.638 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' HA ' HG23 ' A' ' 65' ' ' ILE . 33.3 pttt -134.79 -178.06 4.91 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.803 -0.443 . . . . 1.14 109.803 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.2 mtt -129.2 138.36 51.68 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.154 -0.218 . . . . 0.41 110.708 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.438 ' HG3' ' HB2' ' A' ' 89' ' ' LYS . 0.9 OUTLIER -120.98 76.71 1.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.197 0.523 . . . . 2.67 111.275 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.81 49.06 9.22 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.701 -0.761 . . . . 0.46 113.294 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.4 5.94 88.16 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.927 -0.654 . . . . 0.36 112.871 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -118.3 125.06 49.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.963 -0.754 . . . . 1.76 108.963 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.8 mt -79.7 120.97 32.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.796 -0.362 . . . . 0.22 110.733 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.445 HG13 ' HG3' ' A' ' 84' ' ' LYS . 6.6 p -120.4 131.67 72.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.225 0.536 . . . . 0.25 110.357 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.753 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -106.4 149.49 26.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.041 -0.527 . . . . 0.25 111.097 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -99.47 120.25 39.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 1.19 111.004 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.497 ' CB ' ' HB3' ' A' ' 97' ' ' TYR . 78.5 m-85 -148.68 151.05 34.85 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.297 -0.41 . . . . 1.27 110.467 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.94 116.11 4.6 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.574 2.182 . . . . 0.36 111.489 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 114' ' ' SER . 65.5 t30 64.46 20.5 12.18 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.508 0.67 . . . . 1.5 110.037 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.6 ' CE1' H213 ' A' ' 201' ' ' CHO . 2.1 t80 -143.61 119.23 10.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.705 -0.68 . . . . 1.31 110.748 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' SER . 17.0 t60 -118.57 103.82 10.08 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.663 -0.865 . . . . 1.09 108.663 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -109.77 120.2 41.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.626 -0.261 . . . . 0.67 110.939 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.0 p -126.39 150.69 48.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.897 -0.592 . . . . 0.31 111.199 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.12 135.31 46.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.731 -0.668 . . . . 0.26 109.976 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -154.12 173.58 15.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.02 0.438 . . . . 1.38 110.73 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.4 mm -110.17 124.54 67.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.503 -0.771 . . . . 0.37 109.596 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.2 m -133.5 102.83 5.66 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.038 -0.528 . . . . 1.37 109.949 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.35 36.66 49.51 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.747 -0.661 . . . . 0.96 111.982 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.72 20.01 77.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.84 -0.695 . . . . 0.5 111.592 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -127.45 149.32 50.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.9 0.381 . . . . 1.22 110.682 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.9 tm? -90.9 120.85 32.25 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.733 -0.667 . . . . 0.82 109.242 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.4 p -123.13 113.92 39.87 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.449 0.642 . . . . 0.33 110.145 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' HG3' HD11 ' A' ' 108' ' ' LEU . 31.3 mt-10 -98.29 136.34 38.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.567 -0.742 . . . . 1.69 109.885 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.58 123.41 71.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.836 -0.62 . . . . 0.37 109.602 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 1.4 m -123.68 122.73 38.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.153 -0.476 . . . . 0.37 109.731 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -113.06 136.62 52.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.557 -0.292 . . . . 0.27 111.771 -179.594 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 50.3 m -149.88 112.36 4.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.913 -0.585 . . . . 1.43 110.503 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 57.8 m 57.7 39.68 27.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.398 -0.819 . . . . 0.63 112.228 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 96.43 -29.0 10.94 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.876 -0.678 . . . . 0.46 114.309 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.1 t -77.25 125.6 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.542 0.671 . . . . 0.53 111.283 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.571 HG22 HG23 ' A' ' 113' ' ' THR . 47.2 t -103.89 111.01 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.684 -0.689 . . . . 0.97 110.597 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.474 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 5.0 t80 -100.36 131.86 46.05 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.624 -0.716 . . . . 1.22 109.553 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 110' ' ' GLU . 29.6 mtpt -130.34 150.7 51.45 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 120.914 0.388 . . . . 1.17 111.125 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.63 ' NH1' ' H22' ' A' ' 200' ' ' CHO . 15.5 ptt-85 -145.33 131.21 19.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.107 -0.497 . . . . 2.48 110.163 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.6 m -104.24 125.29 50.39 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.704 -0.68 . . . . 0.43 110.698 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.9 m -123.89 137.38 54.65 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.894 -0.41 . . . . 0.38 109.894 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 12.7 pttm -80.61 159.0 25.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.404 -0.362 . . . . 1.45 111.208 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.511 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -99.02 121.48 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.077 0.465 . . . . 1.45 110.12 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.552 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -141.75 168.23 15.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.581 -0.736 . . . . 0.35 109.548 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.373 -0.822 . . . . 1.27 109.732 178.696 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 1.089 ' H7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 1.089 H262 ' H7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.264 0.078 . . . . 1.11 111.001 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -75.76 -30.04 59.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.744 -0.207 . . . . 1.24 111.435 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.26 142.92 50.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.147 0.498 . . . . 0.26 112.336 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.522 ' HA3' ' HD3' ' A' ' 125' ' ' LYS . . . 128.28 174.3 13.7 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.756 -0.735 . . . . 0.21 112.294 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.06 145.05 25.79 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.919 -0.771 . . . . 1.54 108.919 178.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 108' ' ' LEU . 98.1 m-85 -127.28 145.54 50.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.699 0.285 . . . . 1.29 110.358 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -134.8 156.13 49.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.793 -0.64 . . . . 1.41 109.515 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -49.04 129.38 17.54 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.7 0.625 . . . . 1.86 111.392 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 122' ' ' THR . 8.8 tp10 -126.6 -56.06 1.4 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.75 -0.659 . . . . 1.46 110.03 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.3 m -148.24 164.41 34.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.398 -0.819 . . . . 1.01 109.738 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.584 ' OD1' ' HB2' ' A' ' 14' ' ' TYR . 12.7 t70 -153.86 156.01 36.81 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.424 -0.584 . . . . 1.72 109.424 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 60.8 tt0 -151.48 134.52 15.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.205 0.526 . . . . 1.44 111.531 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 60.69 41.66 14.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.797 -1.092 . . . . 0.84 111.987 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.584 ' HB2' ' OD1' ' A' ' 11' ' ' ASP . 18.2 t80 -69.55 -59.0 3.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.465 -0.334 . . . . 1.39 111.467 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.476 ' HA ' HG22 ' A' ' 18' ' ' VAL . 5.1 m-20 -57.92 -46.27 85.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.3 111.463 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.92 -42.34 75.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.288 0.566 . . . . 1.46 110.927 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -66.17 -56.66 10.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.124 -0.944 . . . . 1.24 111.378 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 15' ' ' ASP . 35.3 m -60.8 -34.36 58.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.709 -0.678 . . . . 0.26 112.424 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -71.27 -27.57 63.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.679 0.276 . . . . 1.18 111.024 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.21 -39.57 25.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 0.88 111.861 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 pt -79.97 -6.06 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.042 0.449 . . . . 0.39 111.388 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.63 35.91 34.94 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.995 -0.621 . . . . 0.39 113.484 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.712 HD23 HG12 ' A' ' 28' ' ' ILE . 22.7 tp -70.91 132.81 86.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.228 -0.656 . . . . 0.31 109.228 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HD2' HD12 ' A' ' 23' ' ' LEU . 29.6 Cg_endo -65.34 138.75 56.83 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.974 1.783 . . . . 0.37 111.194 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HA ' ' HB ' ' A' ' 28' ' ' ILE . . . -55.3 -32.47 62.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.112 -0.495 . . . . 0.39 111.377 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -41.85 78.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.442 -0.799 . . . . 2.03 110.442 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HB3' H181 ' A' ' 200' ' ' CHO . 69.3 mmtt -88.41 -30.82 19.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.94 110.408 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.712 HG12 HD23 ' A' ' 23' ' ' LEU . 55.9 mt -59.55 -58.14 8.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 0.37 110.208 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.495 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 45.4 mm-40 -66.7 -18.34 65.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.796 -0.638 . . . . 1.73 110.714 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.431 ' O ' ' HZ ' ' A' ' 53' ' ' PHE . 10.8 tpt -85.04 -29.59 24.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.758 -0.655 . . . . 0.97 111.246 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.704 ' HA3' H212 ' A' ' 200' ' ' CHO . . . -111.99 23.53 16.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.369 -0.919 . . . . 0.51 113.758 -178.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 6.6 ptp180 -105.28 127.6 53.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.02 0.41 . . . . 2.27 110.485 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.33 23.49 11.95 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.563 -0.744 . . . . 1.78 111.548 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.8 m -90.05 153.58 20.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.131 -0.486 . . . . 1.16 109.985 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -85.33 93.59 8.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.352 0.596 . . . . 2.49 112.106 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.92 122.37 51.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.682 -0.69 . . . . 0.66 109.62 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.4 t -94.39 126.68 46.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.294 -0.412 . . . . 0.37 110.952 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.689 ' HA ' ' O ' ' A' ' 50' ' ' THR . 28.5 m -110.58 107.31 16.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.351 -0.386 . . . . 0.33 110.129 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -96.33 110.92 23.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.191 -0.3 . . . . 1.39 110.191 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' A' ' 48' ' ' THR . 69.6 t -103.75 124.74 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.023 -0.535 . . . . 0.22 111.959 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.532 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 94.2 t -111.27 127.13 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.611 -0.885 . . . . 0.95 108.611 178.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -95.78 135.29 37.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.249 0.547 . . . . 2.06 112.082 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -152.0 86.83 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.218 -0.901 . . . . 1.73 109.577 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.6 -96.9 0.45 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.979 -0.629 . . . . 0.4 111.979 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.3 8.72 10.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.513 -0.551 . . . . 0.43 109.513 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -101.97 120.46 40.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.505 -0.77 . . . . 1.36 110.783 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -120.67 127.42 52.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.629 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.532 ' OG1' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -94.54 126.39 39.79 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.106 -0.497 . . . . 0.56 111.742 -179.667 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.565 ' CG ' ' H42' ' A' ' 201' ' ' CHO . 0.5 OUTLIER -103.96 101.16 10.94 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.292 -1.003 . . . . 0.42 108.292 178.246 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.689 ' O ' ' HA ' ' A' ' 38' ' ' THR . 7.3 m -109.74 110.22 21.16 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.19 -0.459 . . . . 0.35 110.4 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -104.31 117.76 34.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.302 0.572 . . . . 1.62 110.876 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -101.24 131.31 47.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.424 -0.807 . . . . 0.37 110.759 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.432 ' CZ ' H211 ' A' ' 200' ' ' CHO . 5.7 t80 -107.59 132.94 20.62 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-N 116.043 -0.526 . . . . 1.23 109.729 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 37.8 Cg_endo -65.15 111.96 1.93 Allowed 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 121.829 1.686 . . . . 0.46 111.597 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.59 24.28 70.98 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 115.925 -0.58 . . . . 0.46 113.631 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.52 -166.76 10.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.326 -0.94 . . . . 0.41 112.789 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 150.32 49.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.534 0.207 . . . . 3.34 110.977 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.5 t -108.78 149.23 29.36 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.243 -0.651 . . . . 0.39 109.243 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.8 m -127.34 111.73 14.22 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.981 0.419 . . . . 0.49 109.903 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -119.93 115.23 23.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.161 -0.472 . . . . 0.31 111.448 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -122.96 131.02 53.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.408 0.623 . . . . 1.72 110.355 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -109.17 123.78 49.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.236 -0.893 . . . . 1.04 109.66 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CD2' ' H5 ' ' A' ' 201' ' ' CHO . 50.8 p90 -131.96 149.72 52.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.276 0.56 . . . . 0.88 111.743 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.436 ' HB ' ' HB3' ' A' ' 67' ' ' LYS . 36.5 m -120.52 130.55 54.3 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.484 -0.78 . . . . 0.25 108.902 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.9 mm -55.1 126.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.597 -0.274 . . . . 0.24 111.143 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t70 74.02 23.02 2.26 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.294 0.997 . . . . 1.1 110.121 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 32.3 tptt -137.74 140.07 40.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.229 -0.896 . . . . 1.59 110.339 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -69.25 140.91 54.51 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.436 -0.579 . . . . 2.55 109.436 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -133.34 150.57 51.85 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.331 0.493 . . . . 0.31 112.331 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -83.99 120.07 25.67 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.223 -1.028 . . . . 1.95 108.223 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.506 ' SD ' ' C19' ' A' ' 201' ' ' CHO . 15.5 mtt -121.53 170.68 9.44 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.512 0.672 . . . . 0.26 112.014 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.654 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 6.4 tt0 -160.31 145.51 14.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.614 -1.175 . . . . 1.47 108.705 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.551 HG22 H162 ' A' ' 201' ' ' CHO . 26.7 p -89.58 -178.46 5.56 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.723 -0.391 . . . . 0.36 110.136 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.781 ' HB2' ' H14' ' A' ' 200' ' ' CHO . 43.7 mtt -82.19 -11.36 58.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.929 -0.767 . . . . 1.05 108.929 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.59 -15.6 58.1 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.39 -0.823 . . . . 0.48 111.417 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.67 61.0 0.92 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.023 -0.608 . . . . 0.48 112.753 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.654 ' O ' ' HA ' ' A' ' 72' ' ' GLU . 15.4 mtp180 -122.67 124.95 44.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.297 -0.261 . . . . 0.85 110.297 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -93.69 122.85 36.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.866 0.365 . . . . 1.76 110.845 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.776 ' HZ ' H181 ' A' ' 201' ' ' CHO . 47.3 p90 -160.28 168.53 25.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 1.17 110.498 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -132.37 144.49 50.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.211 -0.449 . . . . 2.55 109.837 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.496 ' HB3' ' SD ' ' A' ' 71' ' ' MET . . . -148.0 162.32 39.57 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.301 -0.409 . . . . 0.24 110.775 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.68 133.05 46.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.157 -0.683 . . . . 0.33 109.157 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.7 t -114.63 141.13 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 110.22 -0.289 . . . . 0.19 110.22 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.483 ' CG ' HG13 ' A' ' 91' ' ' VAL . 11.3 pttt -130.71 -179.53 5.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.856 -0.424 . . . . 1.14 109.856 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.465 ' HE2' HG12 ' A' ' 90' ' ' ILE . 1.7 mtt -135.33 133.32 38.68 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.132 -0.227 . . . . 0.41 110.552 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -131.03 108.17 9.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.985 0.421 . . . . 2.67 110.28 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.91 88.51 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.037 -0.601 . . . . 0.46 112.849 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.54 17.4 66.29 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.51 -0.852 . . . . 0.36 112.485 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 85' ' ' MET . 69.1 mttt -116.52 126.44 53.34 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.972 -0.381 . . . . 1.76 109.972 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.465 HG12 ' HE2' ' A' ' 85' ' ' MET . 2.2 mt -82.36 109.46 16.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.86 0.362 . . . . 0.22 110.225 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.483 HG13 ' CG ' ' A' ' 84' ' ' LYS . 1.5 p -111.43 130.05 65.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.976 -0.556 . . . . 0.25 111.477 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.737 ' HB2' ' H12' ' A' ' 201' ' ' CHO . . . -107.94 142.39 38.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 0.25 110.78 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -99.78 120.47 39.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.284 0.564 . . . . 1.19 111.835 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.45 ' CE2' H111 ' A' ' 201' ' ' CHO . 81.1 m-85 -143.27 154.4 60.78 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.42 -0.809 . . . . 1.27 110.264 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -72.39 114.26 3.95 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.243 1.962 . . . . 0.36 111.638 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.554 ' O ' ' HA ' ' A' ' 114' ' ' SER . 66.9 t30 70.93 -0.44 3.04 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.307 0.643 . . . . 1.5 111.45 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.747 ' CZ ' H213 ' A' ' 201' ' ' CHO . 4.0 t80 -122.55 127.57 49.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.164 -0.471 . . . . 1.31 109.786 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.497 ' O ' ' HA ' ' A' ' 112' ' ' SER . 40.8 t60 -124.55 113.52 18.19 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.061 -0.718 . . . . 1.09 109.061 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -115.25 115.45 26.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.693 0.283 . . . . 0.67 111.307 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.456 HG22 ' HB ' ' A' ' 91' ' ' VAL . 14.4 p -123.02 128.92 50.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.127 -0.488 . . . . 0.31 110.511 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.81 137.89 51.66 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.127 -0.323 . . . . 0.26 110.127 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' O ' HD22 ' A' ' 108' ' ' LEU . 13.1 pt-20 -155.4 179.26 9.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.897 0.38 . . . . 1.38 111.294 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 45.3 mm -116.53 110.96 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 115.692 -0.686 . . . . 0.37 109.753 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 m -119.81 113.22 20.28 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.139 -0.482 . . . . 1.37 110.068 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.37 71.26 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.83 -0.7 . . . . 0.96 111.599 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.9 21.08 75.07 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.903 -0.665 . . . . 0.5 111.533 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -129.48 142.83 50.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 1.22 111.204 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 3.2 tm? -81.99 121.99 27.22 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.79 -0.819 . . . . 0.82 108.79 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' A' ' 121' ' ' ARG . 2.5 p -126.76 118.56 51.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-O 121.139 0.495 . . . . 0.33 110.14 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -101.95 133.2 47.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.645 -0.707 . . . . 1.69 109.805 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.1 mp -115.0 124.11 71.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 108.597 -0.89 . . . . 0.37 108.597 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 98' ' ' HIS . 2.5 m -121.86 114.0 20.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.103 -0.499 . . . . 0.37 110.576 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.657 HG23 HG22 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -101.07 132.25 46.59 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.19 -0.459 . . . . 0.27 110.455 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 49.2 m -145.76 114.25 6.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.269 -0.423 . . . . 1.43 109.914 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.9 m 60.98 27.71 17.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.981 -0.554 . . . . 0.63 111.307 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.47 -14.77 64.47 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.978 -0.63 . . . . 0.46 112.432 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 113' ' ' THR . 47.1 t -80.54 122.65 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.928 -0.397 . . . . 0.53 109.928 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.657 HG22 HG23 ' A' ' 113' ' ' THR . 38.7 t -100.01 119.41 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.038 0.447 . . . . 0.97 110.94 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -106.46 130.08 54.32 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.493 -0.776 . . . . 1.22 109.419 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 54.8 mttt -123.08 142.6 50.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.034 0.445 . . . . 1.17 111.182 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 1.3 ptp180 -143.77 133.58 23.88 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.045 -0.525 . . . . 2.48 109.952 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 1.8 m -112.31 130.11 56.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.141 -0.481 . . . . 0.43 110.543 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.5 m -125.26 133.13 52.78 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.754 -0.657 . . . . 0.38 110.029 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 7.5 pttm -80.64 154.33 27.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.388 -0.369 . . . . 1.45 110.325 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.522 ' HD3' ' HA3' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -100.69 119.29 38.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.197 -0.456 . . . . 1.45 110.219 -179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.79 165.28 30.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.172 -0.467 . . . . 0.35 109.842 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.191 -0.909 . . . . 1.27 109.814 179.647 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' CHO . . . . . 1.129 ' C7 ' H262 ' A' ' 201' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' CHO . . . . . 1.129 H262 ' C7 ' ' A' ' 200' ' ' CHO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_